A0A5K4FAS4_SCHMA Loading...

PSP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAS4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 679 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.8Very low39.6Very low240 Ų240139.5 Ų139.5100%1.18280%0.798SS**  0850-65.5-175.1-17400106
2A40Very low39.2Very low91 Ų91137.4 Ų137.475%0.75280%0.798SS**  78.4121.295.700000109.6
3L38.2Very low39.1Very low151 Ų151139.7 Ų139.779%0.79179%0.793SS**  cis-165.2119.314.8-94.2156.8000104.5
4T40.7Very low38.9Very low101 Ų101141.2 Ų141.262%0.6280%0.798SS**  66.9121.810058.60000118.2
5L41.3Very low38.7Very low155 Ų155137.5 Ų137.581%0.81278%0.784SS**  trans74.5135.6132.5-64.2169.3000116.7
6T41.4Very low38.8Very low111 Ų111137.5 Ų137.568%0.68178%0.78SS**  cis-162.3145.226.941.20000111.7
7N39.7Very low38.6Very low148 Ų148137.9 Ų137.979%0.79178%0.779SS**  trans28.2124.7137.1-62.4-24.6000120.6
8S40Very low38.2Very low106 Ų106141.4 Ų141.474%0.74179%0.785SS**  160.3135.586.3-110.60000113.1
9V41Very low38.6Very low135 Ų135139.3 Ų139.382%0.81878%0.781SS**  trans77.1123.7151.7-173.10000118.5
10E34Very low39Very low184 Ų184143.3 Ų143.386%0.8679%0.785SS**  trans-60.2153.4-178.9-54.9-168.1153.200114.7
11P39.4Very low39.4Very low112 Ų112139.8 Ų139.873%0.72778%0.782SS**  trans-130.9139.6135.934.1-21.2000113
12S35.4Very low40.4Very low115 Ų115132.9 Ų132.980%0.80475%0.749SS**  trans-30.8128.4158.749.80000114.4
13F38Very low42Very low167 Ų167131.6 Ų131.673%0.73274%0.735SS**  trans-105.874.2175.7-145.7-88.7000110.7S15 I16F13-S15 WeakPolarHBondContact CE1-O 3.11Å; F13-I16 HydrophobicContact CE1-CD1 3.69Å; F13-I16 HydrophobicContact CE1-CG1 4.37Å; F13-I16 HydrophobicContact CZ-CD1 4Å
14D36.1Very low43.7Very low161 Ų161135.2 Ų135.286%0.86174%0.738SS**  trans-9299152.8-102.1-24.3000107.5
15S35.7Very low45.5Very low85 Ų85136.9 Ų136.959%0.59474%0.739SS**  trans168.6119.2152.632.10000108.1F13F13-S15 WeakPolarHBondContact CE1-O 3.11Å
16I39.6Very low47.4Very low138 Ų138134.3 Ų134.371%0.70872%0.723SS**SBendtrans-176.3107.6137.6-88.4157.9000107.3F13F13-I16 HydrophobicContact CE1-CD1 3.69Å; F13-I16 HydrophobicContact CE1-CG1 4.37Å; F13-I16 HydrophobicContact CZ-CD1 4Å
17N35.6Very low49.4Very low144 Ų144133.5 Ų133.577%0.7771%0.711SS**  trans66.881.1154.4-62.2-23.4000119.5S19N17-S19 PolarHBondContact O-N 3Å
18F32.5Very low51.6Low201 Ų201135 Ų13588%0.88271%0.705SS**  trans-72.975.3152.5-141.1-93.2000109.7Y20F18-Y20 PolarHBondContact O-N 3.41Å
19S44.7Very low53.9Low101 Ų101134 Ų13471%0.70669%0.692SS**  trans-76.3118.116976.50000108.4N17 G21N17-S19 PolarHBondContact O-N 3Å; S19-G21 PolarHBondContact O-N 3.39Å
20Y46Very low56.1Low219 Ų219134.4 Ų134.486%0.85968%0.679SS**  trans-43.897.2174.7-76.1-94.1000111.9F18 L22F18-Y20 PolarHBondContact O-N 3.41Å; Y20-L22 PolarHBondContact O-N 2.81Å
21G48.9Very low58.7Low71 Ų71132.6 Ų132.673%0.73267%0.668SS**PPolyproline II helixtrans-73118.917500000109.4S19 S23S19-G21 PolarHBondContact O-N 3.39Å; G21-S23 PolarHBondContact O-N 3.32Å
22L60.9Low61.1Low95 Ų95134 Ų13450%0.49766%0.663SS.*PPolyproline II helixtrans-52.7132.1168.7-78.1116.5000109.2Y20 Q26Y20-L22 PolarHBondContact O-N 2.81Å; L22-Q26 VanDerWaalsContact CA-OE1 3.3Å; L22-Q26 HydrophobicContact CB-CB 3.98Å; L22-Q26 HydrophobicContact CD2-CB 3.68Å; L22-Q26 HydrophobicContact CD2-CG 4.35Å; L22-Q26 HydrophobicContact CG-CB 4.43Å
23S71.9Confident63.8Low64 Ų64136.4 Ų136.445%0.44866%0.659SS.*PPolyproline II helixtrans-49.6144.3175.4161.90000110.1G21 Q25 Q26 E27G21-S23 PolarHBondContact O-N 3.32Å; S23-Q25 CarbonylContact O-C 3.58Å; S23-Q25 PolarHBondContact O-N 3.42Å; S23-Q25 PolarHBondContact OG-N 3.01Å; S23-Q26 VanDerWaalsContact N-OE1 3.1Å; S23-Q26 WeakPolarHBondContact O-CA 3.45Å; S23-Q26 WeakPolarHBondContact O-CB 3.12Å; S23-Q26 PolarHBondContact O-N 3.42Å; S23-E27 PolarHBondContact O-N 3.23Å; S23-E27 VanDerWaalsContact O-N 3.08Å
24R75.6Confident66.4Low226 Ų226133.6 Ų133.685%0.85365%0.651SS**Hα-helixtrans-49.6-26.4177.9-148175.8-174.8-166.23112.5R28R24-R28 WeakPolarHBondContact O-CG 3.37Å; R24-R28 PolarHBondContact O-N 2.87Å
25Q77.4Confident68.9Low137 Ų137135.4 Ų135.464%0.6465%0.645SS**Hα-helixtrans-75.5-40174.6-162.51706.600113.2S23 R28 N29S23-Q25 CarbonylContact O-C 3.58Å; S23-Q25 PolarHBondContact O-N 3.42Å; S23-Q25 PolarHBondContact OG-N 3.01Å; Q25-R28 PolarHBondContact O-N 3.24Å; Q25-N29 VanDerWaalsContact O-CG 3.32Å; Q25-N29 PolarHBondContact O-N 3.41Å
26Q82.3Confident71.7Confident101 Ų101138.7 Ų138.747%0.47265%0.649SS.*Hα-helixtrans-65.5-39.1173.8-68.9173.7-24.900111.4L22 S23 N29 R30L22-Q26 VanDerWaalsContact CA-OE1 3.3Å; L22-Q26 HydrophobicContact CB-CB 3.98Å; L22-Q26 HydrophobicContact CD2-CB 3.68Å; L22-Q26 HydrophobicContact CD2-CG 4.35Å; L22-Q26 HydrophobicContact CG-CB 4.43Å; S23-Q26 VanDerWaalsContact N-OE1 3.1Å; S23-Q26 WeakPolarHBondContact O-CA 3.45Å; S23-Q26 WeakPolarHBondContact O-CB 3.12Å; S23-Q26 PolarHBondContact O-N 3.42Å; Q26-N29 PolarHBondContact O-N 3.38Å; Q26-R30 WeakPolarHBondContact O-CB 3.4Å; Q26-R30 PolarHBondContact O-N 2.87Å
27E82.2Confident74.3Confident93 Ų93140.1 Ų140.144%0.43565%0.65SS.*Hα-helixtrans-63.9-42.1174.6-166.860.9-147.300111.5S23 N29 R30 K31S23-E27 PolarHBondContact O-N 3.23Å; S23-E27 VanDerWaalsContact O-N 3.08Å; E27-N29 PolarHBondContact O-N 3.36Å; E27-R30 PolarHBondContact O-N 3.08Å; E27-K31 WeakPolarHBondContact O-CB 3.36Å; E27-K31 PolarHBondContact O-N 3.4Å
28R85.3Confident76.9Confident179 Ų179136.3 Ų136.368%0.67564%0.638SS**Hα-helixtrans-60.7-42.5172.8-77.317674.7176.32.5111.8R24 Q25 K31 K32R24-R28 WeakPolarHBondContact O-CG 3.37Å; R24-R28 PolarHBondContact O-N 2.87Å; Q25-R28 PolarHBondContact O-N 3.24Å; R28-K31 PolarHBondContact O-N 3.38Å; R28-K32 PolarHBondContact O-N 2.76Å
29N88.6Confident79.6Confident85 Ų85130.5 Ų130.546%0.45562%0.623SS.*Hα-helixtrans-67.6-40.2178.9-73.6-15.6000112.1Q25 Q26 E27 K32 K33Q25-N29 VanDerWaalsContact O-CG 3.32Å; Q25-N29 PolarHBondContact O-N 3.41Å; Q26-N29 PolarHBondContact O-N 3.38Å; E27-N29 PolarHBondContact O-N 3.36Å; N29-K32 PolarHBondContact O-N 3.07Å; N29-K33 PolarHBondContact O-N 2.95Å
30R87.5Confident81.8Confident144 Ų144130.2 Ų130.254%0.54361%0.613SS.*Hα-helixtrans-61.9-43.7173.8-168.7179.9175.2-1770.2111.3Q26 E27 K32 K33 L34Q26-R30 WeakPolarHBondContact O-CB 3.4Å; Q26-R30 PolarHBondContact O-N 2.87Å; E27-R30 PolarHBondContact O-N 3.08Å; R30-K32 PolarHBondContact O-N 2.97Å; R30-K33 PolarHBondContact O-N 3.5Å; R30-L34 HydrophobicContact CG-CD1 4.2Å; R30-L34 PolarHBondContact O-N 2.93Å
31K88.6Confident83.9Confident146 Ų146126.1 Ų126.164%0.63560%0.6SS**Hα-helixtrans-65.5-36.9176.7-153.9169.9-173.4172.60112.5E27 R28 R35E27-K31 WeakPolarHBondContact O-CB 3.36Å; E27-K31 PolarHBondContact O-N 3.4Å; R28-K31 PolarHBondContact O-N 3.38Å; K31-R35 WeakPolarHBondContact O-CG 3.4Å; K31-R35 PolarHBondContact O-N 3.46Å
32K90.5Very high85.7Confident142 Ų142131.5 Ų131.562%0.61760%0.598SS**Hα-helixtrans-63.3-46.3171-79.2-176.6175.9-176.40111.8R28 N29 R30 L34 R35 K36R28-K32 PolarHBondContact O-N 2.76Å; N29-K32 PolarHBondContact O-N 3.07Å; R30-K32 PolarHBondContact O-N 2.97Å; K32-L34 PolarHBondContact O-N 3.49Å; K32-R35 PolarHBondContact O-N 3.32Å; K32-K36 PolarHBondContact O-N 3.32Å
33K92.1Very high86.9Confident166 Ų166136.4 Ų136.472%0.72261%0.61SS**Hα-helixtrans-60.9-43.2176.5-77-174.4178.3-177.20112.1N29 R30 K36 K37N29-K33 PolarHBondContact O-N 2.95Å; R30-K33 PolarHBondContact O-N 3.5Å; K33-K36 PolarHBondContact O-N 2.95Å; K33-K37 PolarHBondContact O-N 3.33Å
34L91.4Very high87.6Confident108 Ų108141.8 Ų141.857%0.56562%0.62SS**Hα-helixtrans-61.6-43.6175.8-85.6153.5000112.5R30 K32 K37 A38R30-L34 HydrophobicContact CG-CD1 4.2Å; R30-L34 PolarHBondContact O-N 2.93Å; K32-L34 PolarHBondContact O-N 3.49Å; L34-K37 PolarHBondContact O-N 3.27Å; L34-A38 WeakPolarHBondContact O-CB 3.43Å; L34-A38 PolarHBondContact O-N 3.04Å
35R90.3Very high88Confident198 Ų198135.9 Ų135.975%0.74760%0.602SS**Hα-helixtrans-63.1-41.2175.2-73.4179.683.1-161.75.3112.2K31 K32 A38 S39K31-R35 WeakPolarHBondContact O-CG 3.4Å; K31-R35 PolarHBondContact O-N 3.46Å; K32-R35 PolarHBondContact O-N 3.32Å; R35-A38 PolarHBondContact O-N 3.38Å; R35-S39 WeakPolarHBondContact O-CB 3.47Å; R35-S39 PolarHBondContact O-N 3Å
36K93.2Very high88.1Confident155 Ų155135.5 Ų135.567%0.67460%0.604SS**Hα-helixtrans-63.5-42.1176.6-165.7172.7-177.7176.60111.4K32 K33 S39 L40K32-K36 PolarHBondContact O-N 3.32Å; K33-K36 PolarHBondContact O-N 2.95Å; K36-S39 PolarHBondContact O-N 3.48Å; K36-L40 PolarHBondContact O-N 2.99Å
37K93.5Very high88Confident168 Ų168139.1 Ų139.173%0.7362%0.618SS**Hα-helixtrans-65.4-41.7176.3-163.3173.8-177.6178.60112.2K33 L34 L40 K41K33-K37 PolarHBondContact O-N 3.33Å; L34-K37 PolarHBondContact O-N 3.27Å; K37-L40 PolarHBondContact O-N 2.95Å; K37-K41 PolarHBondContact O-N 3.4Å
38A90.7Very high87.6Confident63 Ų63141.4 Ų141.452%0.52163%0.633SS.*Hα-helixtrans-64.8-39.9175.500000112.5L34 R35 K41 R42L34-A38 WeakPolarHBondContact O-CB 3.43Å; L34-A38 PolarHBondContact O-N 3.04Å; R35-A38 PolarHBondContact O-N 3.38Å; A38-K41 PolarHBondContact O-N 3.36Å; A38-R42 PolarHBondContact O-N 3.12Å
39S89.9Confident86.4Confident80 Ų80139.6 Ų139.656%0.55963%0.632SS**Hα-helixtrans-63.2-41.2174.8-172.10000112.4R35 K36 R42 R43R35-S39 WeakPolarHBondContact O-CB 3.47Å; R35-S39 PolarHBondContact O-N 3Å; K36-S39 PolarHBondContact O-N 3.48Å; S39-R42 PolarHBondContact O-N 3.48Å; S39-R43 PolarHBondContact O-N 3.34Å
40L91.6Very high84.7Confident94 Ų94141.2 Ų141.249%0.49265%0.648SS.*Hα-helixtrans-65.2-40.2175.9-117.689.6000111.9K36 K37 R43 R44K36-L40 PolarHBondContact O-N 2.99Å; K37-L40 PolarHBondContact O-N 2.95Å; L40-R43 PolarHBondContact O-N 3.37Å; L40-R44 PolarHBondContact O-N 2.92Å
41K90.2Very high82.6Confident134 Ų134142 Ų14258%0.58366%0.663SS**Hα-helixtrans-62.2-46.9176.6-165.2-171.3-178.8-153.80111K37 A38 R43 R44 E45K37-K41 PolarHBondContact O-N 3.4Å; A38-K41 PolarHBondContact O-N 3.36Å; K41-R43 VanDerWaalsContact C-N 3.31Å; K41-R43 PolarHBondContact O-N 3.11Å; K41-R44 PolarHBondContact O-N 3.05Å; K41-R44 VanDerWaalsContact O-N 3.11Å; K41-E45 WeakPolarHBondContact CE-OE1 3.48Å; K41-E45 IonicContact NZ-OE1 3.42Å; K41-E45 PolarHBondContact NZ-OE1 3Å; K41-E45 WeakPolarHBondContact O-CG 3.4Å; K41-E45 PolarHBondContact O-N 3.35Å
42R85.8Confident80.3Confident184 Ų184143.6 Ų143.669%0.69468%0.677SS**Hα-helixtrans-60.8-38.6176.6-163.5179-176.1-165.70112.1A38 S39 E45 L46A38-R42 PolarHBondContact O-N 3.12Å; S39-R42 PolarHBondContact O-N 3.48Å; R42-E45 PolarHBondContact O-N 3.2Å; R42-L46 HydrophobicContact CG-CD1 4.34Å; R42-L46 WeakPolarHBondContact O-CB 3.47Å; R42-L46 WeakPolarHBondContact O-CD1 3.47Å; R42-L46 WeakPolarHBondContact O-CG 3.33Å; R42-L46 PolarHBondContact O-N 3.36Å
43R86.4Confident77.8Confident197 Ų197141.4 Ų141.474%0.74368%0.68SS**Hα-helixtrans-66.5-35.7174.8-173.3176171.8-173.1-2.6112.7S39 L40 K41 K47S39-R43 PolarHBondContact O-N 3.34Å; L40-R43 PolarHBondContact O-N 3.37Å; K41-R43 VanDerWaalsContact C-N 3.31Å; K41-R43 PolarHBondContact O-N 3.11Å; R43-K47 PolarHBondContact O-N 3.36Å
44R87.1Confident75.3Confident178 Ų178141.3 Ų141.367%0.67269%0.687SS**Hα-helixtrans-69.9-41.8173.6-75.4-178175.9179-2.5112L40 K41 L46 K47 N48L40-R44 PolarHBondContact O-N 2.92Å; K41-R44 PolarHBondContact O-N 3.05Å; K41-R44 VanDerWaalsContact O-N 3.11Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.05Å; R44-K47 PolarHBondContact O-N 3.11Å; R44-K47 VanDerWaalsContact O-N 3.12Å; R44-N48 PolarHBondContact O-N 3.29Å
45E83.4Confident72.7Confident102 Ų102139.4 Ų139.448%0.47769%0.693SS.*Hα-helixtrans-62.5-40.2176.1-73165.7-179.400111.6K41 R42 K47 N48K41-E45 WeakPolarHBondContact CE-OE1 3.48Å; K41-E45 IonicContact NZ-OE1 3.42Å; K41-E45 PolarHBondContact NZ-OE1 3Å; K41-E45 WeakPolarHBondContact O-CG 3.4Å; K41-E45 PolarHBondContact O-N 3.35Å; R42-E45 PolarHBondContact O-N 3.2Å; E45-K47 VanDerWaalsContact C-N 3.26Å; E45-K47 PolarHBondContact O-N 3.27Å; E45-N48 PolarHBondContact O-N 3.29Å
46L79.4Confident70Confident128 Ų128136.5 Ų136.567%0.6770%0.698SS**Hα-helixtrans-64.7-26.4173.8-77.3159.7000113.5R42 R44R42-L46 HydrophobicContact CG-CD1 4.34Å; R42-L46 WeakPolarHBondContact O-CB 3.47Å; R42-L46 WeakPolarHBondContact O-CD1 3.47Å; R42-L46 WeakPolarHBondContact O-CG 3.33Å; R42-L46 PolarHBondContact O-N 3.36Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.05Å
47K79.8Confident67.5Low178 Ų178137 Ų13777%0.77471%0.706SS**Hα-helixtrans-87.2-16.5-179.4-147.8176.6-175.7-171.70113.2R43 R44 E45R43-K47 PolarHBondContact O-N 3.36Å; R44-K47 PolarHBondContact O-N 3.11Å; R44-K47 VanDerWaalsContact O-N 3.12Å; E45-K47 VanDerWaalsContact C-N 3.26Å; E45-K47 PolarHBondContact O-N 3.27Å
48N73.9Confident64.7Low140 Ų140135.2 Ų135.275%0.74971%0.705SS**SBendtrans-97.43.8-179.8-79.54.1000113.7R44 E45R44-N48 PolarHBondContact O-N 3.29Å; E45-N48 PolarHBondContact O-N 3.29Å
49Q61.3Low62.3Low141 Ų141142.6 Ų142.666%0.65972%0.721SS**SBendtrans-81.6123.5169.3-74.2-90.5-2.700108.6N51Q49-N51 PolarHBondContact O-N 3.15Å
50P51.6Low60Low120 Ų120144.4 Ų144.478%0.77973%0.731SS**PPolyproline II helixtrans-70.6116.517727.4-30.8000110
51N44.3Very low57.1Low160 Ų160147.5 Ų147.586%0.85675%0.748SS**PPolyproline II helixtrans-74.7124.2175.4-83.8-16.7000110.9Q49Q49-N51 PolarHBondContact O-N 3.15Å
52L40.6Very low54.8Low180 Ų180145 Ų14594%0.94276%0.761SS**PPolyproline II helixtrans-79.1128.3154.3-84.7146.4000108.5
53S37.9Very low52.2Low96 Ų96141.7 Ų141.767%0.67176%0.761SS**PPolyproline II helixtrans-87.9153-170.153.70000114.5
54N38.3Very low49.9Very low164 Ų164140.5 Ų140.588%0.87776%0.763SS**  trans145.8129.5138.6-73.3-11.7000109.3
55G38.6Very low47.6Very low67 Ų67139.6 Ų139.669%0.69177%0.766SS**  cis-162.7130.8-0.100000107.2
56V33.3Very low45.2Very low138 Ų138141.6 Ų141.684%0.83678%0.78SS**  56.2108.6112.5-174.50000116.1
57L39.3Very low43.2Very low164 Ų164144 Ų14486%0.85979%0.788SS**  -157.6136.7123.6-103.4170.9000108.9
58D35.3Very low41Very low132 Ų132138.8 Ų138.871%0.70679%0.785SS**  trans-126.5139.2-159.8-162.219.9000108.1
59Y40.3Very low39.3Very low217 Ų217138.2 Ų138.285%0.85179%0.792SS**  trans-150.9142.4157.3-80.7-71.5000110.5
60P40.8Very low38.1Very low119 Ų119139.4 Ų139.477%0.77380%0.803SS**  trans-106.1164.4-147.537.6-28.6000115.8
61N32.7Very low37.6Very low159 Ų159138.7 Ų138.785%0.8580%0.798SS**  trans-59.5149.7178.1-76-37.6000115.2
62G39.9Very low37.4Very low82 Ų82139.8 Ų139.885%0.84580%0.798SS**  trans-124.1125.4151.400000109.9
63V33Very low37.2Very low114 Ų114136.7 Ų136.769%0.69179%0.789SS**  trans-109.4140.1179.5171.60000108.7
64H37.3Very low37.5Very low172 Ų172140.9 Ų140.980%0.79680%0.798SS**  trans-160.8106.6154.2-129.7-77.2000105.4
65E38.3Very low37.4Very low158 Ų158141.1 Ų141.174%0.73880%0.799SS**  47.4129.681.3-65.3-171.4-175.700112.8
66D33.4Very low37.3Very low145 Ų145146.7 Ų146.778%0.77581%0.807SS**  cis-173.8175.3-16.3-170.66.8000103.8
67E37.8Very low37.7Very low177 Ų177147.8 Ų147.883%0.82781%0.807SS**  trans81.5128.2169.4-48.9-93.9151.800115.3
68G33.8Very low37.6Very low69 Ų69146.2 Ų146.271%0.71180%0.798SS**  cis142.5105.18.700000109
69S38.7Very low37.7Very low129 Ų129147.8 Ų147.890%0.90280%0.801SS**  trans-179.5134.215545.20000113.2
70D35.1Very low37.7Very low166 Ų166144.7 Ų144.789%0.88879%0.792SS**  trans-79.3161.8-170.1-148.125.8000113.7
71P40.2Very low37.5Very low105 Ų105145.3 Ų145.368%0.68279%0.785SS**  trans-108.8164.6-155.941.8-35.8000116.1
72E41.3Very low38Very low182 Ų182144.8 Ų144.885%0.8577%0.772SS**  trans-115.5138.9161.9-86.5-87.1138.500109.3
73P37Very low38.1Very low116 Ų116147.8 Ų147.875%0.75376%0.762SS**  trans-98.1113.4-173.234.9-25.9000111.8
74E43.9Very low38.8Very low184 Ų184144.1 Ų144.186%0.8675%0.747SS**  trans-102.4142164.9-67.5-170.9-168.500111.1E76E74-E76 PolarHBondContact O-N 3.28Å
75D34.8Very low39.5Very low169 Ų169141.3 Ų141.390%0.90474%0.744SS**  trans-62.789.9-164.5-67.8-57.5000114.3I77D75-I77 PolarHBondContact O-N 2.91Å
76E37.8Very low39.9Very low183 Ų183141 Ų14186%0.85574%0.741SS**  trans-85.5113.4170.2-77.7-174171.400112.5E74 I78E74-E76 PolarHBondContact O-N 3.28Å; E76-I78 PolarHBondContact O-N 2.93Å
77I41.9Very low40.8Very low161 Ų161139.3 Ų139.383%0.82673%0.728SS**  trans-33.6120.6162.4-63.2160.3000110.3D75 E79D75-I77 PolarHBondContact O-N 2.91Å; I77-E79 VanDerWaalsContact C-N 3.25Å; I77-E79 PolarHBondContact O-N 2.9Å
78I35.5Very low41.6Very low131 Ų131139.7 Ų139.767%0.67272%0.722SS**  trans-66.286.9176.3-55.2171.3000109.1E76 F80E76-I78 PolarHBondContact O-N 2.93Å; I78-F80 HydrophobicContact CB-CD2 4.47Å; I78-F80 HydrophobicContact CB-CE2 4.26Å; I78-F80 HydrophobicContact CG2-CD2 3.62Å; I78-F80 HydrophobicContact CG2-CE1 4.41Å; I78-F80 HydrophobicContact CG2-CE2 3.44Å; I78-F80 VanDerWaalsContact CG2-CE2 3.44Å; I78-F80 HydrophobicContact CG2-CG 4.2Å; I78-F80 HydrophobicContact CG2-CZ 3.87Å; I78-F80 PolarHBondContact O-N 2.82Å; I78-F80 VanDerWaalsContact O-N 3.08Å
79E38.7Very low42.1Very low165 Ų165143.6 Ų143.677%0.77172%0.72SS**  trans-69.499.6161.7-166.5-179.5-17300107.2I77 Q81I77-E79 VanDerWaalsContact C-N 3.25Å; I77-E79 PolarHBondContact O-N 2.9Å; E79-Q81 VanDerWaalsContact C-N 3.25Å; E79-Q81 PolarHBondContact O-N 2.95Å
80F39.4Very low42.5Very low153 Ų153144.9 Ų144.967%0.67171%0.709SS**  trans-6688.8172.5-83.8-86.8000109.3I78 Y82I78-F80 HydrophobicContact CB-CD2 4.47Å; I78-F80 HydrophobicContact CB-CE2 4.26Å; I78-F80 HydrophobicContact CG2-CD2 3.62Å; I78-F80 HydrophobicContact CG2-CE1 4.41Å; I78-F80 HydrophobicContact CG2-CE2 3.44Å; I78-F80 VanDerWaalsContact CG2-CE2 3.44Å; I78-F80 HydrophobicContact CG2-CG 4.2Å; I78-F80 HydrophobicContact CG2-CZ 3.87Å; I78-F80 PolarHBondContact O-N 2.82Å; I78-F80 VanDerWaalsContact O-N 3.08Å; F80-Y82 HydrophobicContact CB-CE2 4.27Å; F80-Y82 VanDerWaalsContact O-CD2 3.3Å; F80-Y82 WeakPolarHBondContact O-CD2 3.31Å; F80-Y82 PolarHBondContact O-N 2.95Å
81Q36.3Very low43.2Very low131 Ų131143.8 Ų143.861%0.61270%0.702SS**  trans-62.8100171.5-140177.262.100108.9E79 K83E79-Q81 VanDerWaalsContact C-N 3.25Å; E79-Q81 PolarHBondContact O-N 2.95Å; Q81-K83 HydrophobicContact CG-CG 4.39Å; Q81-K83 PolarHBondContact O-N 3.03Å
82Y44.6Very low43.5Very low148 Ų148142.6 Ų142.658%0.5870%0.701SS**  trans-72.875.4171-82.9-97.3000109.6F80 G84 K221F80-Y82 HydrophobicContact CB-CE2 4.27Å; F80-Y82 VanDerWaalsContact O-CD2 3.3Å; F80-Y82 WeakPolarHBondContact O-CD2 3.31Å; F80-Y82 PolarHBondContact O-N 2.95Å; Y82-G84 PolarHBondContact O-N 3.4Å; Y82-G84 VanDerWaalsContact O-N 3.1Å; Y82-K221 VanDerWaalsContact CZ-NZ 3.35Å; Y82-K221 VanDerWaalsContact OH-CD 3.32Å; Y82-K221 WeakPolarHBondContact OH-CD 3.36Å; Y82-K221 VanDerWaalsContact OH-CE 3.26Å; Y82-K221 WeakPolarHBondContact OH-CE 3.35Å; Y82-K221 PolarHBondContact OH-NZ 3.43Å
83K41.7Very low43.4Very low145 Ų145141.3 Ų141.363%0.6370%0.7SS**  trans-74.997.8169.5-80.3-170.6165.81630110.4Q81 E87Q81-K83 HydrophobicContact CG-CG 4.39Å; Q81-K83 PolarHBondContact O-N 3.03Å; K83-E87 VanDerWaalsContact CE-OE1 3.29Å; K83-E87 WeakPolarHBondContact CE-OE1 3.48Å; K83-E87 WeakPolarHBondContact CG-OE1 3.45Å
84G47.6Very low44Very low37 Ų37143 Ų14338%0.38170%0.703SS.*SBendtrans125.7144.9170.100000112.7Y82Y82-G84 PolarHBondContact O-N 3.4Å; Y82-G84 VanDerWaalsContact O-N 3.1Å
85P52Low43.9Very low113 Ų113143.7 Ų143.773%0.73471%0.706SS**SBendcis-82.217.6-28.9-14.933.4000115.3E87P85-E87 VanDerWaalsContact C-N 3.35Å; P85-E87 PolarHBondContact O-N 3.45Å
86F46.4Very low44.5Very low153 Ų153140.2 Ų140.267%0.67170%0.701SS**G310 helixtrans-79.8-7.6-172.6-72.1-87.2000115.4R88 F89F86-R88 PolarHBondContact O-N 3Å; F86-F89 PolarHBondContact O-N 3.31Å
87E51.5Low44.5Very low108 Ų108139.4 Ų139.451%0.50570%0.703SS.*G310 helixtrans-67.8-10.7175-74.2178.7160.600113.7K83 P85 F89K83-E87 VanDerWaalsContact CE-OE1 3.29Å; K83-E87 WeakPolarHBondContact CE-OE1 3.48Å; K83-E87 WeakPolarHBondContact CG-OE1 3.45Å; P85-E87 VanDerWaalsContact C-N 3.35Å; P85-E87 PolarHBondContact O-N 3.45Å; E87-F89 VanDerWaalsContact C-N 3.26Å; E87-F89 PolarHBondContact O-N 3.29Å
88R55Low44.5Very low185 Ų185137.5 Ų137.570%0.69870%0.703SS**G310 helixtrans-79.9-5.7174.4-148.6176.1-170.5-158.30.7113.7F86 R114F86-R88 PolarHBondContact O-N 3Å; R88-R114 PolarHBondContact O-NH2 3.04Å
89F45.8Very low44.7Very low152 Ų152137.8 Ų137.867%0.66771%0.711SS**G310 helixtrans-123.98-175.5-71.5-78.2000114.2F86 E87 L91F86-F89 PolarHBondContact O-N 3.31Å; E87-F89 VanDerWaalsContact C-N 3.26Å; E87-F89 PolarHBondContact O-N 3.29Å; F89-L91 PolarHBondContact O-N 3.28Å; F89-L91 VanDerWaalsContact O-N 3.12Å
90K47.2Very low44.9Very low156 Ų156135 Ų13568%0.67871%0.707SS**  trans-70.3110.3172-68.3-168.3174.4-168.80108.9
91L48.5Very low44.6Very low143 Ų143132.5 Ų132.575%0.74971%0.708SS**  trans-58.9128.8160.7-79.6143.6000106.6F89 D93F89-L91 PolarHBondContact O-N 3.28Å; F89-L91 VanDerWaalsContact O-N 3.12Å; L91-D93 PolarHBondContact O-N 3.34Å
92A47.3Very low45.1Very low80 Ų80136 Ų13666%0.66172%0.722SS**  trans-73109.9169.200000106.7D94A92-D94 PolarHBondContact O-N 3.15Å
93D39Very low44.8Very low155 Ų155134.5 Ų134.583%0.82973%0.73SS**  trans-82.494.1163.4-64.9-39.2000105.9L91L91-D93 PolarHBondContact O-N 3.34Å
94D50.3Low44.6Very low150 Ų150133.3 Ų133.380%0.80274%0.735SS**  trans-94.1110.4169.6-74.6-36.7000108.4A92 A96A92-D94 PolarHBondContact O-N 3.15Å; D94-A96 PolarHBondContact O-N 3.41Å
95E40.7Very low44.6Very low199 Ų199135 Ų13593%0.9374%0.741SS**  trans-58124.6161.3-77.9-155.4149.800110.2
96A47.3Very low44.3Very low96 Ų96136.3 Ų136.379%0.79374%0.737SS**  trans-164.6100.1150.800000109.7D94 S98D94-A96 PolarHBondContact O-N 3.41Å; A96-S98 PolarHBondContact O-N 3.17Å
97D37.1Very low44.7Very low167 Ų167134.1 Ų134.189%0.89374%0.736SS**  trans-56.8122160.3-83.4-42.4000110.9
98S42.9Very low44.8Very low120 Ų120133.2 Ų133.284%0.83973%0.734SS**  trans169.2123.1136.445.10000111.8A96A96-S98 PolarHBondContact O-N 3.17Å
99V40.1Very low44.9Very low137 Ų137129.3 Ų129.383%0.8373%0.726SS**  trans-77.8150172.9-153.20000107.2
100P41.8Very low45.7Very low108 Ų108126.7 Ų126.770%0.70172%0.719SS**  cis-15316839.240.4-16.9000120.1
101S34.6Very low46.5Very low99 Ų99124.8 Ų124.869%0.69272%0.716SS**  trans56.196.114662.10000120.9
102K46.3Very low47.7Very low205 Ų205125 Ų12589%0.89171%0.711SS**  trans-176.4147.5130-97154.8-170.1179.20109.7
103P38.7Very low48.9Very low116 Ų116123.9 Ų123.975%0.75370%0.702SS**  trans-75.7170-174.933.4-32.1000110.4
104V37.2Very low50.2Low121 Ų121123 Ų12373%0.73369%0.687SS**  trans122.791.7159-174.70000115.5H106V104-H106 PolarHBondContact O-N 3.4Å
105S46.5Very low51.1Low72 Ų72119.5 Ų119.550%0.50367%0.671SS.*  49.243.412980.80000122.6
106H46.9Very low52.6Low141 Ų141112.8 Ų112.865%0.65365%0.649SS**SBendtrans-89.8-16.1177.6-163.2-99.1000115.5V104V104-H106 PolarHBondContact O-N 3.4Å
107T53.1Low54Low106 Ų106111 Ų11165%0.6564%0.635SS**Hα-helixtrans-79.1-29.2-179.750.30000113.7
108D55Low55.5Low89 Ų89108.2 Ų108.248%0.47662%0.62SS.*Hα-helixtrans-78.5-24.4-175.3-66.1-23.5000113.5K112D108-K112 WeakPolarHBondContact O-CB 3.49Å; D108-K112 WeakPolarHBondContact O-CG 3.26Å; D108-K112 PolarHBondContact O-N 2.94Å
109I56.1Low57Low103 Ų103107.4 Ų107.453%0.52861%0.605SS.*Hα-helixtrans-70.4-39.7-177.7-61.1168.9000110.2A113I109-A113 WeakPolarHBondContact O-CB 3.45Å; I109-A113 PolarHBondContact O-N 2.92Å
110N63.2Low58.6Low97 Ų97103.8 Ų103.852%0.51959%0.589SS.*Hα-helixtrans-72.2-33.8177.9-90-44.1000113.1R114N110-R114 WeakPolarHBondContact O-CB 3.41Å; N110-R114 VanDerWaalsContact O-CG 3.23Å; N110-R114 WeakPolarHBondContact O-CG 3.37Å; N110-R114 PolarHBondContact O-N 3.18Å; N110-R114 VanDerWaalsContact O-N 3.15Å
111L64.1Low60.1Low117 Ų117104 Ų10461%0.61358%0.581SS**Hα-helixtrans-67.9-47.2172.1-94.284.6000111.2A113 R114 T115L111-A113 PolarHBondContact O-N 2.78Å; L111-R114 PolarHBondContact O-N 3.42Å; L111-T115 WeakPolarHBondContact O-CG2 3.47Å; L111-T115 PolarHBondContact O-N 3.02Å; L111-T115 PolarHBondContact O-OG1 3.38Å; L111-T115 VanDerWaalsContact O-OG1 3.1Å
112K73.3Confident61.6Low146 Ų146100.9 Ų100.964%0.63556%0.555SS**Hα-helixtrans-61.4-42.4-180-75.9174.1-176.8171.50112.3D108 T115 A116D108-K112 WeakPolarHBondContact O-CB 3.49Å; D108-K112 WeakPolarHBondContact O-CG 3.26Å; D108-K112 PolarHBondContact O-N 2.94Å; K112-T115 WeakPolarHBondContact CA-OG1 3.36Å; K112-T115 PolarHBondContact O-N 3.01Å; K112-T115 PolarHBondContact O-OG1 3.07Å; K112-A116 VanDerWaalsContact O-CB 3.3Å; K112-A116 WeakPolarHBondContact O-CB 3.39Å; K112-A116 PolarHBondContact O-N 2.9Å
113A73.6Confident62.7Low58 Ų5894 Ų9448%0.47954%0.537SS..Hα-helixtrans-64.5-41.2176.100000112.2I109 L111 A116 A117I109-A113 WeakPolarHBondContact O-CB 3.45Å; I109-A113 PolarHBondContact O-N 2.92Å; L111-A113 PolarHBondContact O-N 2.78Å; A113-A116 PolarHBondContact O-N 3.11Å; A113-A117 WeakPolarHBondContact O-CB 3.22Å; A113-A117 PolarHBondContact O-N 3.31Å
114R64.8Low64.3Low137 Ų13792.2 Ų92.252%0.51753%0.527SS..Hα-helixtrans-65.9-41.6175.9-76.3176.2117.6170.93112.3R88 N110 L111 A117 L118R88-R114 PolarHBondContact O-NH2 3.04Å; N110-R114 WeakPolarHBondContact O-CB 3.41Å; N110-R114 VanDerWaalsContact O-CG 3.23Å; N110-R114 WeakPolarHBondContact O-CG 3.37Å; N110-R114 PolarHBondContact O-N 3.18Å; N110-R114 VanDerWaalsContact O-N 3.15Å; L111-R114 PolarHBondContact O-N 3.42Å; R114-A117 PolarHBondContact O-N 3.18Å; R114-L118 PolarHBondContact O-N 2.73Å; R114-L118 VanDerWaalsContact O-N 3.13Å
115T69.1Low65.7Low76 Ų7688.1 Ų88.147%0.46651%0.506SS..Hα-helixtrans-66.2-39.6175.551.50000111.8L111 K112 L118 L119L111-T115 WeakPolarHBondContact O-CG2 3.47Å; L111-T115 PolarHBondContact O-N 3.02Å; L111-T115 PolarHBondContact O-OG1 3.38Å; L111-T115 VanDerWaalsContact O-OG1 3.1Å; K112-T115 WeakPolarHBondContact CA-OG1 3.36Å; K112-T115 PolarHBondContact O-N 3.01Å; K112-T115 PolarHBondContact O-OG1 3.07Å; T115-L118 PolarHBondContact O-N 2.82Å; T115-L119 WeakPolarHBondContact O-CG 3.17Å; T115-L119 PolarHBondContact O-N 3.06Å
116A73.7Confident66.5Low57 Ų5788.5 Ų88.547%0.47150%0.503SS..Hα-helixtrans-65.1-39.4176.400000112K112 A113 L119 A120K112-A116 VanDerWaalsContact O-CB 3.3Å; K112-A116 WeakPolarHBondContact O-CB 3.39Å; K112-A116 PolarHBondContact O-N 2.9Å; A113-A116 PolarHBondContact O-N 3.11Å; A116-L119 PolarHBondContact O-N 3.41Å; A116-A120 WeakPolarHBondContact O-CB 3.41Å; A116-A120 PolarHBondContact O-N 3.5Å
117A74.9Confident67.5Low59 Ų5986 Ų8649%0.48849%0.491SS..Hα-helixtrans-64.9-40.6176.100000112.6A113 R114 A120 E121A113-A117 WeakPolarHBondContact O-CB 3.22Å; A113-A117 PolarHBondContact O-N 3.31Å; R114-A117 PolarHBondContact O-N 3.18Å; A117-A120 PolarHBondContact O-N 2.93Å; A117-E121 WeakPolarHBondContact O-CB 3.43Å; A117-E121 PolarHBondContact O-N 3.16Å
118L68.9Low68.2Low109 Ų10982.3 Ų82.357%0.57147%0.471SS*.Hα-helixtrans-66.2-41175-73.2173.5000112R114 T115 A120 E121 E122R114-L118 PolarHBondContact O-N 2.73Å; R114-L118 VanDerWaalsContact O-N 3.13Å; T115-L118 PolarHBondContact O-N 2.82Å; L118-A120 VanDerWaalsContact C-N 3.35Å; L118-E121 PolarHBondContact O-N 3.24Å; L118-E122 WeakPolarHBondContact O-CB 3.38Å; L118-E122 PolarHBondContact O-N 2.89Å
119L74.3Confident68.5Low103 Ų10381.2 Ų81.254%0.53946%0.461SS..Hα-helixtrans-65.1-37.1174.9-73.4171.5000112.1T115 A116 E122 A123T115-L119 WeakPolarHBondContact O-CG 3.17Å; T115-L119 PolarHBondContact O-N 3.06Å; A116-L119 PolarHBondContact O-N 3.41Å; L119-E122 PolarHBondContact O-N 3.26Å; L119-A123 WeakPolarHBondContact O-CB 3.35Å; L119-A123 PolarHBondContact O-N 2.76Å
120A75.1Confident68.9Low60 Ų6086.3 Ų86.350%0.49647%0.473SS..Hα-helixtrans-69-39.9175.200000112.3A116 A117 L118 E122 A123 S124A116-A120 WeakPolarHBondContact O-CB 3.41Å; A116-A120 PolarHBondContact O-N 3.5Å; A117-A120 PolarHBondContact O-N 2.93Å; L118-A120 VanDerWaalsContact C-N 3.35Å; A120-E122 VanDerWaalsContact C-N 3.32Å; A120-A123 PolarHBondContact O-N 3.3Å; A120-S124 VanDerWaalsContact O-CB 3.29Å; A120-S124 WeakPolarHBondContact O-CB 3.43Å; A120-S124 PolarHBondContact O-N 3.28Å
121E71.9Confident69Low113 Ų11389.9 Ų89.953%0.52848%0.48SS..Hα-helixtrans-63-39.9173-171.9174.8177.400110.9A117 L118 S124 A125A117-E121 WeakPolarHBondContact O-CB 3.43Å; A117-E121 PolarHBondContact O-N 3.16Å; L118-E121 PolarHBondContact O-N 3.24Å; E121-S124 WeakPolarHBondContact O-CB 3.46Å; E121-A125 WeakPolarHBondContact O-CB 3.5Å; E121-A125 PolarHBondContact O-N 3.27Å
122E67.1Low68.7Low33 Ų3388.2 Ų88.215%0.15447%0.467CS..Hα-helixtrans-68.1-42.7175.9-171.2170150.800112.7L118 L119 A120 S124 A125 N126 S175 A178L118-E122 WeakPolarHBondContact O-CB 3.38Å; L118-E122 PolarHBondContact O-N 2.89Å; L119-E122 PolarHBondContact O-N 3.26Å; A120-E122 VanDerWaalsContact C-N 3.32Å; E122-S124 VanDerWaalsContact C-N 3.34Å; E122-S124 PolarHBondContact O-N 3.42Å; E122-A125 PolarHBondContact O-N 2.87Å; E122-N126 WeakPolarHBondContact O-CB 3.49Å; E122-N126 PolarHBondContact O-N 2.67Å; E122-S175 VanDerWaalsContact CD-OG 3.29Å; E122-S175 PolarHBondContact OE2-OG 3.43Å; E122-A178 WeakPolarHBondContact OE1-CB 3.14Å
123A69.3Low67.6Low60 Ų6086.3 Ų86.350%0.49647%0.47SS..Hα-helixtrans-61.8-42.3174.900000111.6L119 A120 N126 E127L119-A123 WeakPolarHBondContact O-CB 3.35Å; L119-A123 PolarHBondContact O-N 2.76Å; A120-A123 PolarHBondContact O-N 3.3Å; A123-N126 PolarHBondContact O-N 3.06Å; A123-E127 WeakPolarHBondContact O-CB 3.47Å; A123-E127 PolarHBondContact O-N 3.01Å
124S71.5Confident66.4Low80 Ų8087.2 Ų87.256%0.55947%0.473SS*.Hα-helixtrans-60.1-44.1172.7158.90000112.3A120 E121 E122 E127 A128A120-S124 VanDerWaalsContact O-CB 3.29Å; A120-S124 WeakPolarHBondContact O-CB 3.43Å; A120-S124 PolarHBondContact O-N 3.28Å; E121-S124 WeakPolarHBondContact O-CB 3.46Å; E122-S124 VanDerWaalsContact C-N 3.34Å; E122-S124 PolarHBondContact O-N 3.42Å; S124-E127 PolarHBondContact O-N 3.37Å; S124-A128 WeakPolarHBondContact O-CB 3.18Å; S124-A128 PolarHBondContact O-N 3.42Å
125A66.3Low65.4Low35 Ų3589.7 Ų89.729%0.28949%0.49SS..Hα-helixtrans-66.6-38.2177.200000112.3E121 E122 A128 R129E121-A125 WeakPolarHBondContact O-CB 3.5Å; E121-A125 PolarHBondContact O-N 3.27Å; E122-A125 PolarHBondContact O-N 2.87Å; A125-A128 PolarHBondContact O-N 3.23Å; A125-R129 WeakPolarHBondContact O-CG 3.31Å; A125-R129 PolarHBondContact O-N 3.39Å
126N64.5Low63.9Low80 Ų8092.3 Ų92.343%0.42850%0.501SS..Hα-helixtrans-67.7-40175.6-84.3-16.9000112.4E122 A123 R129 R130E122-N126 WeakPolarHBondContact O-CB 3.49Å; E122-N126 PolarHBondContact O-N 2.67Å; A123-N126 PolarHBondContact O-N 3.06Å; N126-R129 WeakPolarHBondContact O-CB 3.07Å; N126-R129 PolarHBondContact O-N 2.9Å; N126-R130 PolarHBondContact O-N 3.44Å
127E68.4Low62.4Low87 Ų8795.8 Ų95.841%0.40752%0.519SS..Hα-helixtrans-62.7-42.6172.8178.757.1-158.600111.2A123 S124 R129 R130 R131A123-E127 WeakPolarHBondContact O-CB 3.47Å; A123-E127 PolarHBondContact O-N 3.01Å; S124-E127 PolarHBondContact O-N 3.37Å; E127-R129 VanDerWaalsContact C-N 3.31Å; E127-R129 PolarHBondContact O-N 3.08Å; E127-R130 PolarHBondContact O-N 3.48Å; E127-R131 WeakPolarHBondContact O-CG 3.46Å; E127-R131 PolarHBondContact O-N 3.12Å; E127-R131 VanDerWaalsContact O-N 3.13Å; E127-R131 IonicContact OE1-CZ 3.02Å; E127-R131 IonicContact OE1-NE 3.56Å; E127-R131 PolarHBondContact OE1-NE 2.72Å; E127-R131 IonicContact OE1-NH2 2.72Å; E127-R131 PolarHBondContact OE1-NH2 3.33Å
128A66.1Low60.7Low29 Ų29102 Ų10224%0.2454%0.538CS..Hα-helixtrans-62.3-35.117500000112.9S124 A125 F132S124-A128 WeakPolarHBondContact O-CB 3.18Å; S124-A128 PolarHBondContact O-N 3.42Å; A125-A128 PolarHBondContact O-N 3.23Å; A128-F132 WeakPolarHBondContact O-CD2 3.19Å
129R62.3Low59.5Low66 Ų66102.2 Ų102.225%0.24955%0.548CS..Hα-helixtrans-67.8-40.6173.9-72166.2-178.2-112.29.8112.4A125 N126 E127 R131 F132 L171 N172 R173 P174A125-R129 WeakPolarHBondContact O-CG 3.31Å; A125-R129 PolarHBondContact O-N 3.39Å; N126-R129 WeakPolarHBondContact O-CB 3.07Å; N126-R129 PolarHBondContact O-N 2.9Å; E127-R129 VanDerWaalsContact C-N 3.31Å; E127-R129 PolarHBondContact O-N 3.08Å; R129-R131 VanDerWaalsContact C-N 3.26Å; R129-R131 PolarHBondContact O-N 2.98Å; R129-F132 CarbonylContact O-C 3.58Å; R129-F132 VanDerWaalsContact O-C 3.31Å; R129-F132 PolarHBondContact O-N 3.12Å; R129-F132 VanDerWaalsContact O-N 3.17Å; R129-L171 PolarHBondContact NE-O 3.08Å; R129-L171 PolarHBondContact NH2-O 2.95Å; R129-L171 VanDerWaalsContact NH2-O 3.08Å; R129-N172 VanDerWaalsContact CZ-CA 3.41Å; R129-N172 VanDerWaalsContact CZ-O 3.23Å; R129-N172 VanDerWaalsContact NH1-C 3.28Å; R129-N172 PolarHBondContact NH1-O 3.03Å; R129-N172 PolarHBondContact NH2-O 3.25Å; R129-R173 VanDerWaalsContact NH2-N 3.15Å; R129-R173 PolarHBondContact NH2-O 3.13Å; R129-P174 VanDerWaalsContact NH2-N 3.13Å
130R65.3Low57.6Low211 Ų211104.5 Ų104.580%0.79656%0.561SS**Hα-helixtrans-64.1-32.3178.2-75.6-169.2171.2-164.8-1.5112.4N126 E127 F132N126-R130 PolarHBondContact O-N 3.44Å; E127-R130 PolarHBondContact O-N 3.48Å; R130-F132 VanDerWaalsContact C-N 3.3Å; R130-F132 PolarHBondContact O-N 3.42Å
131R64.7Low55.8Low172 Ų172111.9 Ų111.965%0.64958%0.582SS**Hα-helixtrans-72.5-19.8175.6-68.6-177.3-175.1-157.5-0.3114.2E127 R129E127-R131 WeakPolarHBondContact O-CG 3.46Å; E127-R131 PolarHBondContact O-N 3.12Å; E127-R131 VanDerWaalsContact O-N 3.13Å; E127-R131 IonicContact OE1-CZ 3.02Å; E127-R131 IonicContact OE1-NE 3.56Å; E127-R131 PolarHBondContact OE1-NE 2.72Å; E127-R131 IonicContact OE1-NH2 2.72Å; E127-R131 PolarHBondContact OE1-NH2 3.33Å; R129-R131 VanDerWaalsContact C-N 3.26Å; R129-R131 PolarHBondContact O-N 2.98Å
132F56.6Low54Low82 Ų82109.5 Ų109.536%0.3659%0.588SS.*  trans-133.571.4-177.9-63-72.8000111.7A128 R129 R130 S134 I160 L163A128-F132 WeakPolarHBondContact O-CD2 3.19Å; R129-F132 CarbonylContact O-C 3.58Å; R129-F132 VanDerWaalsContact O-C 3.31Å; R129-F132 PolarHBondContact O-N 3.12Å; R129-F132 VanDerWaalsContact O-N 3.17Å; R130-F132 VanDerWaalsContact C-N 3.3Å; R130-F132 PolarHBondContact O-N 3.42Å; F132-S134 PolarHBondContact O-N 3.12Å; F132-I160 HydrophobicContact CE1-CG2 3.68Å; F132-I160 HydrophobicContact CZ-CG2 4.49Å; F132-L163 HydrophobicContact CD2-CD1 4.2Å; F132-L163 HydrophobicContact CE2-CD1 4.37Å; F132-L163 HydrophobicContact CG-CD1 4.36Å
133P50.5Low52.6Low106 Ų106113.6 Ų113.669%0.68862%0.617SS**  trans-62.4127.1169.922.1-24.3000109.2Q135P133-Q135 PolarHBondContact O-N 3.35Å; P133-Q135 VanDerWaalsContact O-N 3.07Å
134S49.9Very low51.1Low77 Ų77120 Ų12054%0.53864%0.637SS.*  trans-65.3110.4179.259.80000110F132 D136F132-S134 PolarHBondContact O-N 3.12Å; S134-D136 PolarHBondContact O-N 3.45Å
135Q43.3Very low49.7Very low188 Ų188122.2 Ų122.288%0.87965%0.652SS**  trans-65123.2159.2-75.6-176.5-12.600108.4P133P133-Q135 PolarHBondContact O-N 3.35Å; P133-Q135 VanDerWaalsContact O-N 3.07Å
136D38Very low48.3Very low132 Ų132131.1 Ų131.171%0.70668%0.684SS**  trans-56.5128.6176.4-72.8-49.2000111S134 E138S134-D136 PolarHBondContact O-N 3.45Å; D136-E138 PolarHBondContact O-N 2.93Å
137P41.2Very low47.1Very low129 Ų129131.1 Ų131.184%0.83870%0.703SS**THydrogen-bonded Turntrans-79.626.8-174.932.3-35.6000114.7
138E40Very low45.5Very low190 Ų190130.9 Ų130.989%0.88872%0.724SS**THydrogen-bonded Turntrans-111.61.6-176.1-77.9-159.1138.100116.4D136D136-E138 PolarHBondContact O-N 2.93Å
139S43.1Very low44.3Very low113 Ų113135.7 Ų135.779%0.7976%0.756SS**SBendtrans-103.95.1-174.862.60000117.1
140N35Very low43.1Very low151 Ų151137.5 Ų137.581%0.80779%0.785SS**  trans-128.681.9-175.4-144.2-4.9000114
141K36.8Very low41.9Very low216 Ų216131.1 Ų131.194%0.93979%0.785SS**  trans-128.793161.3-81.2-172178.4178.30109.1
142G34.3Very low40.5Very low62 Ų62126.6 Ų126.664%0.63979%0.791SS**  trans-150.1114.1164.400000108.9
143P38.2Very low39.9Very low119 Ų119131 Ų13177%0.77382%0.818SS**  trans-90.7140.8-176.234.1-29000111.8
144Q37.4Very low39.2Very low196 Ų196133 Ų13392%0.91682%0.823SS**  trans69.9114.4150.1-61.7-172.4-0.800119.6
145S42Very low38.7Very low125 Ų125134.9 Ų134.987%0.87484%0.836SS**  -146.4130.1122.163.90000109.9
146K36.9Very low38.3Very low223 Ų223129.7 Ų129.797%0.9783%0.833SS**  trans-89136.9174.1-87.9-173173-179.20109
147G38Very low38.1Very low80 Ų80128.1 Ų128.183%0.82583%0.832SS**  trans154.5111.9168.100000106.6
148G35.8Very low37.9Very low81 Ų81128.4 Ų128.484%0.83583%0.827SS**  cis11183.633.700000107.1
149S40.3Very low37.7Very low130 Ų130123.3 Ų123.391%0.90983%0.825SS**  trans-177.5141.4139.7-1490000111.3
150A37.9Very low38.4Very low104 Ų104123.7 Ų123.786%0.8682%0.817SS**  trans-79.6144.3-177.700000112.2
151G40.4Very low39.7Very low78 Ų78124.3 Ų124.380%0.80482%0.815SS**  trans-177.3100.5169.900000109.2
152G35.6Very low41.2Very low76 Ų76118.7 Ų118.778%0.78481%0.809SS**  trans-72.8144.9-177.900000112.9
153L43.9Very low43Very low174 Ų174118 Ų11891%0.91179%0.79SS**  trans-157116.2150.6-103.9134.3000108.2
154D35.9Very low45.2Very low150 Ų150115.9 Ų115.980%0.80278%0.778SS**  trans-66.4127.7171.3178.922.8000110
155S39.4Very low47.2Very low116 Ų116115 Ų11581%0.81177%0.771SS**  trans-164.9109.1160.4-85.70000109.9
156G33.6Very low49.1Very low78 Ų78117 Ų11780%0.80476%0.764SS**  trans-62.6137.2-179.300000113.8
157S35Very low51.2Low100 Ų100111.8 Ų111.870%0.69974%0.741SS**  trans-171.6105.9162.1176.20000109.5
158N35.7Very low53.3Low135 Ų135110.4 Ų110.472%0.72272%0.715SS**  trans65.683154.8-53.6-35000118.3I160N158-I160 PolarHBondContact O-N 3.24Å
159G37.4Very low55.4Low82 Ų82114.2 Ų114.285%0.84571%0.708SS**  trans-63.183.6156.600000111E161G159-E161 VanDerWaalsContact C-N 3.3Å; G159-E161 PolarHBondContact O-N 2.94Å
160I57.5Low57.4Low121 Ų121117.2 Ų117.262%0.62170%0.7SS**  trans-68.594167.6-61.3170.3000106.3F132 N158 A162F132-I160 HydrophobicContact CE1-CG2 3.68Å; F132-I160 HydrophobicContact CZ-CG2 4.49Å; N158-I160 PolarHBondContact O-N 3.24Å; I160-A162 PolarHBondContact O-N 3.17Å
161E62.4Low59.4Low165 Ų165114.9 Ų114.977%0.77167%0.673SS**  trans-53.6108167.3-73.3-173.7165.900108.1G159 L163G159-E161 VanDerWaalsContact C-N 3.3Å; G159-E161 PolarHBondContact O-N 2.94Å; E161-L163 PolarHBondContact O-N 2.77Å
162A68.3Low61.4Low98 Ų98114 Ų11481%0.8165%0.65SS**  trans-55.7103177.900000109I160 S164I160-A162 PolarHBondContact O-N 3.17Å; A162-S164 PolarHBondContact O-N 2.95Å
163L70.9Confident63.9Low47 Ų47115.6 Ų115.625%0.24663%0.632CS.*  trans-57.8130.7-177-67.1166.3000108.9F132 E161 K165 K167 L171F132-L163 HydrophobicContact CD2-CD1 4.2Å; F132-L163 HydrophobicContact CE2-CD1 4.37Å; F132-L163 HydrophobicContact CG-CD1 4.36Å; E161-L163 PolarHBondContact O-N 2.77Å; L163-K165 PolarHBondContact O-N 2.88Å; L163-K167 HydrophobicContact CD2-CD 3.59Å; L163-K167 HydrophobicContact CD2-CG 4.17Å; L163-L171 HydrophobicContact CD1-CD1 3.95Å
164S84.6Confident65.9Low75 Ų75108.6 Ų108.652%0.52460%0.597SS.*  trans-49.6136.2173.2177.50000109.8A162 K166 K167 L168A162-S164 PolarHBondContact O-N 2.95Å; S164-K166 CarbonylContact O-C 3.58Å; S164-K166 PolarHBondContact O-N 3.45Å; S164-K167 WeakPolarHBondContact O-CA 3.42Å; S164-K167 WeakPolarHBondContact O-CB 3.48Å; S164-K167 PolarHBondContact O-N 3.32Å; S164-L168 PolarHBondContact O-N 3.48Å
165K80.7Confident68.5Low176 Ų176103.5 Ų103.577%0.76557%0.573SS**Hα-helixtrans-47.2-32177.3-66.7-177.4179.2-179.10112.7L163 K169L163-K165 PolarHBondContact O-N 2.88Å; K165-K169 WeakPolarHBondContact O-CB 3.34Å; K165-K169 VanDerWaalsContact O-CG 3.26Å; K165-K169 WeakPolarHBondContact O-CG 3.48Å; K165-K169 PolarHBondContact O-N 3.24Å; K165-K169 VanDerWaalsContact O-N 3.11Å
166K80.6Confident71Confident167 Ų16799.9 Ų99.973%0.72655%0.546SS*.Hα-helixtrans-71.3-39.7175.2-67.5-178.2179.3177.60113S164 R170S164-K166 CarbonylContact O-C 3.58Å; S164-K166 PolarHBondContact O-N 3.45Å; K166-R170 WeakPolarHBondContact O-CG 3.32Å; K166-R170 PolarHBondContact O-N 3.48Å; K166-R170 VanDerWaalsContact O-N 3.12Å
167K82.3Confident73.8Confident114 Ų11498.6 Ų98.650%0.49653%0.528SS..Hα-helixtrans-68.8-43.7176.1-171.7171.7174.5-168.90110.4L163 S164 K169 R170 L171L163-K167 HydrophobicContact CD2-CD 3.59Å; L163-K167 HydrophobicContact CD2-CG 4.17Å; S164-K167 WeakPolarHBondContact O-CA 3.42Å; S164-K167 WeakPolarHBondContact O-CB 3.48Å; S164-K167 PolarHBondContact O-N 3.32Å; K167-K169 PolarHBondContact O-N 3.34Å; K167-R170 PolarHBondContact O-N 2.86Å; K167-R170 VanDerWaalsContact O-N 3.12Å; K167-L171 HydrophobicContact CG-CD1 4.38Å; K167-L171 WeakPolarHBondContact O-CG 3.26Å; K167-L171 PolarHBondContact O-N 2.87Å
168L82Confident76.5Confident51 Ų5194.6 Ų94.627%0.26750%0.501SS..Hα-helixtrans-58.7-46.2174.4-172.864.8000111.9S164 R170 L171 N172S164-L168 PolarHBondContact O-N 3.48Å; L168-R170 VanDerWaalsContact C-N 3.3Å; L168-R170 PolarHBondContact O-N 2.88Å; L168-L171 PolarHBondContact O-N 3.44Å; L168-N172 WeakPolarHBondContact O-CB 3.45Å; L168-N172 PolarHBondContact O-N 3.41Å
169K79.8Confident79.1Confident161 Ų16188.2 Ų88.270%0.747%0.467SS*.Hα-helixtrans-62.2-33.6175.2-75.7-179.6-179.4-168.40113.7K165 K167 R173K165-K169 WeakPolarHBondContact O-CB 3.34Å; K165-K169 VanDerWaalsContact O-CG 3.26Å; K165-K169 WeakPolarHBondContact O-CG 3.48Å; K165-K169 PolarHBondContact O-N 3.24Å; K165-K169 VanDerWaalsContact O-N 3.11Å; K167-K169 PolarHBondContact O-N 3.34Å; K169-R173 PolarHBondContact O-N 3.37Å
170R81.1Confident81.9Confident194 Ų19487.9 Ų87.973%0.73244%0.442SS*.Hα-helixtrans-73-36.3176-77.6179.4179.9-175.2-1.4112.4K166 K167 L168 N172 R173K166-R170 WeakPolarHBondContact O-CG 3.32Å; K166-R170 PolarHBondContact O-N 3.48Å; K166-R170 VanDerWaalsContact O-N 3.12Å; K167-R170 PolarHBondContact O-N 2.86Å; K167-R170 VanDerWaalsContact O-N 3.12Å; L168-R170 VanDerWaalsContact C-N 3.3Å; L168-R170 PolarHBondContact O-N 2.88Å; R170-N172 VanDerWaalsContact C-N 3.32Å; R170-R173 WeakPolarHBondContact O-CB 3.31Å; R170-R173 PolarHBondContact O-N 3.36Å
171L79.3Confident83.5Confident54 Ų5489 Ų8928%0.28345%0.445SS..Hα-helixtrans-68.7-34.8173.7-67.8170000111.1R129 L163 K167 L168 R173R129-L171 PolarHBondContact NE-O 3.08Å; R129-L171 PolarHBondContact NH2-O 2.95Å; R129-L171 VanDerWaalsContact NH2-O 3.08Å; L163-L171 HydrophobicContact CD1-CD1 3.95Å; K167-L171 HydrophobicContact CG-CD1 4.38Å; K167-L171 WeakPolarHBondContact O-CG 3.26Å; K167-L171 PolarHBondContact O-N 2.87Å; L168-L171 PolarHBondContact O-N 3.44Å; L171-R173 VanDerWaalsContact C-N 3.27Å; L171-R173 PolarHBondContact O-N 3.4Å
172N83.5Confident84.8Confident60 Ų6087.2 Ų87.232%0.32144%0.438SS..THydrogen-bonded Turntrans-79.3-1.5178.9-70.5-1.6000114.9R129 L168 R170R129-N172 VanDerWaalsContact CZ-CA 3.41Å; R129-N172 VanDerWaalsContact CZ-O 3.23Å; R129-N172 VanDerWaalsContact NH1-C 3.28Å; R129-N172 PolarHBondContact NH1-O 3.03Å; R129-N172 PolarHBondContact NH2-O 3.25Å; L168-N172 WeakPolarHBondContact O-CB 3.45Å; L168-N172 PolarHBondContact O-N 3.41Å; R170-N172 VanDerWaalsContact C-N 3.32Å
173R87.4Confident85.9Confident110 Ų11083.7 Ų83.742%0.41541%0.406SS..SBendtrans-81.3116.3176.7169.6172.1-76.9-178.24.3111.4R129 K169 R170 L171 V194 C195R129-R173 VanDerWaalsContact NH2-N 3.15Å; R129-R173 PolarHBondContact NH2-O 3.13Å; K169-R173 PolarHBondContact O-N 3.37Å; R170-R173 WeakPolarHBondContact O-CB 3.31Å; R170-R173 PolarHBondContact O-N 3.36Å; L171-R173 VanDerWaalsContact C-N 3.27Å; L171-R173 PolarHBondContact O-N 3.4Å; R173-V194 VanDerWaalsContact CD-CG1 3.48Å; R173-V194 HydrophobicContact CG-CB 4.49Å; R173-V194 HydrophobicContact CG-CG1 3.15Å; R173-V194 VanDerWaalsContact CG-O 3.28Å; R173-V194 WeakPolarHBondContact CG-O 3.33Å; R173-V194 PolarHBondContact NE-O 3.45Å; R173-C195 VanDerWaalsContact CZ-CA 3.49Å; R173-C195 PolarHBondContact NH1-SG 3.21Å; R173-C195 PolarHBondContact NH2-SG 3.04Å; R173-C195 VanDerWaalsContact NH2-SG 3.41Å
174P87.4Confident86.9Confident26 Ų2686.5 Ų86.517%0.16944%0.436CS..PPolyproline II helixtrans-64.9157.4-178.227.4-33.8000111.2R129 A178 V194 P199R129-P174 VanDerWaalsContact NH2-N 3.13Å; P174-A178 HydrophobicContact CB-CB 4.33Å; P174-V194 WeakPolarHBondContact O-CG1 3.35Å; P174-P199 HydrophobicContact CG-CB 4.31Å; P174-P199 HydrophobicContact CG-CG 3.8Å
175S90.4Very high87.2Confident44 Ų4489.2 Ų89.231%0.30844%0.435SS..PPolyproline II helixtrans-70.3160.9169.177.80000109.7E122 A177 A178 L179E122-S175 VanDerWaalsContact CD-OG 3.29Å; E122-S175 PolarHBondContact OE2-OG 3.43Å; S175-A177 PolarHBondContact O-N 3.1Å; S175-A177 PolarHBondContact OG-N 3.24Å; S175-A178 PolarHBondContact O-N 3.4Å; S175-A178 VanDerWaalsContact OG-CB 3.31Å; S175-A178 WeakPolarHBondContact OG-CB 3.42Å; S175-A178 PolarHBondContact OG-N 2.96Å; S175-L179 PolarHBondContact O-N 2.96Å
176V91.4Very high87.8Confident39 Ų3983.6 Ų83.624%0.23642%0.417CS..Hα-helixtrans-62.3-35.9174.3178.80000110.2L179 K180 I189 M191 V194V176-L179 PolarHBondContact O-N 3Å; V176-K180 HydrophobicContact CG1-CD 4.24Å; V176-K180 WeakPolarHBondContact O-CG 3.21Å; V176-K180 PolarHBondContact O-N 3.2Å; V176-I189 HydrophobicContact CG1-CG2 4.39Å; V176-M191 HydrophobicContact CG2-SD 4.09Å; V176-V194 HydrophobicContact CB-CG2 4.16Å; V176-V194 HydrophobicContact CG2-CB 4.45Å; V176-V194 HydrophobicContact CG2-CG2 3.53Å
177A91.9Very high88.4Confident52 Ų5280.4 Ų80.443%0.4341%0.407SS..Hα-helixtrans-65.3-47.9177.700000111.7S175 L179 K180 Q181S175-A177 PolarHBondContact O-N 3.1Å; S175-A177 PolarHBondContact OG-N 3.24Å; A177-L179 VanDerWaalsContact C-N 3.29Å; A177-L179 PolarHBondContact O-N 2.93Å; A177-K180 PolarHBondContact O-N 3.07Å; A177-Q181 WeakPolarHBondContact O-CG 3.42Å; A177-Q181 PolarHBondContact O-N 3.29Å
178A90.9Very high88.9Confident16 Ų1676.7 Ų76.713%0.13239%0.394CS..Hα-helixtrans-55.4-46174.400000111.3E122 P174 S175 K180 Q181 M182E122-A178 WeakPolarHBondContact OE1-CB 3.14Å; P174-A178 HydrophobicContact CB-CB 4.33Å; S175-A178 PolarHBondContact O-N 3.4Å; S175-A178 VanDerWaalsContact OG-CB 3.31Å; S175-A178 WeakPolarHBondContact OG-CB 3.42Å; S175-A178 PolarHBondContact OG-N 2.96Å; A178-K180 PolarHBondContact O-N 2.98Å; A178-Q181 PolarHBondContact O-N 3.14Å; A178-M182 WeakPolarHBondContact O-CG 3.28Å; A178-M182 PolarHBondContact O-N 3.23Å
179L92Very high89.5Confident0 Ų074.5 Ų74.50%038%0.383CS..Hα-helixtrans-65.7-40.2-179.3-170.560000112S175 V176 A177 Q181 M182 V183 I189 D193 V194 P199 L200S175-L179 PolarHBondContact O-N 2.96Å; V176-L179 PolarHBondContact O-N 3Å; A177-L179 VanDerWaalsContact C-N 3.29Å; A177-L179 PolarHBondContact O-N 2.93Å; L179-Q181 VanDerWaalsContact C-N 3.31Å; L179-Q181 PolarHBondContact O-N 3.26Å; L179-M182 PolarHBondContact O-N 2.92Å; L179-V183 HydrophobicContact CD1-CG2 4.31Å; L179-V183 VanDerWaalsContact O-CG2 3.29Å; L179-V183 WeakPolarHBondContact O-CG2 2.91Å; L179-V183 PolarHBondContact O-N 3.3Å; L179-I189 HydrophobicContact CD2-CG2 3.92Å; L179-I189 HydrophobicContact CG-CD1 4.09Å; L179-I189 HydrophobicContact CG-CG2 4.32Å; L179-D193 HydrophobicContact CD2-CB 4.17Å; L179-V194 HydrophobicContact CD2-CG2 4.27Å; L179-P199 HydrophobicContact CD1-CB 3.93Å; L179-P199 HydrophobicContact CD1-CG 4.49Å; L179-P199 HydrophobicContact CD2-CB 3.91Å; L179-L200 HydrophobicContact CD1-CD2 3.8Å
180K95Very high90.1Very high75 Ų7571.1 Ų71.133%0.32637%0.369SS..Hα-helixtrans-64.7-32.6174.9-75.9179.2-176.1-80.60112.6V176 A177 A178 P186 I189V176-K180 HydrophobicContact CG1-CD 4.24Å; V176-K180 WeakPolarHBondContact O-CG 3.21Å; V176-K180 PolarHBondContact O-N 3.2Å; A177-K180 PolarHBondContact O-N 3.07Å; A178-K180 PolarHBondContact O-N 2.98Å; K180-P186 HydrophobicContact CB-CB 3.91Å; K180-P186 HydrophobicContact CG-CB 4.05Å; K180-P186 PolarHBondContact NZ-O 3.42Å; K180-I189 HydrophobicContact CB-CD1 4.37Å; K180-I189 HydrophobicContact CG-CB 4.06Å; K180-I189 HydrophobicContact CG-CD1 3.84Å; K180-I189 HydrophobicContact CG-CG2 4.15Å; K180-I189 PolarHBondContact NZ-O 3.31Å
181Q92.3Very high90.5Very high146 Ų14668.3 Ų68.368%0.68237%0.366SS*.Hα-helixtrans-71.8-30.1176.2-71.4176.17.400113.2A177 A178 L179A177-Q181 WeakPolarHBondContact O-CG 3.42Å; A177-Q181 PolarHBondContact O-N 3.29Å; A178-Q181 PolarHBondContact O-N 3.14Å; L179-Q181 VanDerWaalsContact C-N 3.31Å; L179-Q181 PolarHBondContact O-N 3.26Å
182M89.1Confident91.1Very high127 Ų12770.6 Ų70.663%0.62637%0.371SS*.Hα-helixtrans-83-16.9-177.3-67.2179.375.500114.2A178 L179 L200A178-M182 WeakPolarHBondContact O-CG 3.28Å; A178-M182 PolarHBondContact O-N 3.23Å; L179-M182 PolarHBondContact O-N 2.92Å; M182-L200 HydrophobicContact CB-CD2 3.97Å; M182-L200 HydrophobicContact CE-CD1 3.81Å; M182-L200 HydrophobicContact CE-CD2 3.88Å; M182-L200 HydrophobicContact CE-CG 4.45Å; M182-L200 HydrophobicContact SD-CD2 4.12Å
183V91.1Very high91.6Very high23 Ų2367.9 Ų67.914%0.13936%0.356CS..SBendtrans-108.8136.9-169.4175.40000110.5L179 R185 I189 L200 A203L179-V183 HydrophobicContact CD1-CG2 4.31Å; L179-V183 VanDerWaalsContact O-CG2 3.29Å; L179-V183 WeakPolarHBondContact O-CG2 2.91Å; L179-V183 PolarHBondContact O-N 3.3Å; V183-R185 VanDerWaalsContact C-N 3.3Å; V183-R185 WeakPolarHBondContact CG1-O 3.49Å; V183-R185 PolarHBondContact O-N 3.5Å; V183-I189 HydrophobicContact CB-CD1 3.85Å; V183-I189 HydrophobicContact CG1-CD1 4.17Å; V183-I189 HydrophobicContact CG2-CD1 3.95Å; V183-L200 HydrophobicContact CG2-CD2 4.44Å; V183-A203 HydrophobicContact CB-CB 4.46Å; V183-A203 HydrophobicContact CG1-CB 4.05Å; V183-A203 HydrophobicContact CG2-CB 3.57Å
184A91.3Very high91.8Very high107 Ų10763.2 Ų63.288%0.88434%0.34SS*.SBendtrans-62.4-33.1-179.300000114P186A184-P186 WeakPolarHBondContact O-CD 3.45Å
185R91.8Very high91.9Very high132 Ų13265.1 Ų65.150%0.49835%0.353SS..  trans-114.288.2176.7-73.9-164.269.1144.73.7110.6V183 D187 V188 A207V183-R185 VanDerWaalsContact C-N 3.3Å; V183-R185 WeakPolarHBondContact CG1-O 3.49Å; V183-R185 PolarHBondContact O-N 3.5Å; R185-D187 VanDerWaalsContact C-N 3.29Å; R185-D187 WeakPolarHBondContact CB-OD1 3.4Å; R185-D187 IonicContact CZ-OD2 2.74Å; R185-D187 IonicContact NE-OD1 3.8Å; R185-D187 IonicContact NE-OD2 3.25Å; R185-D187 IonicContact NH2-OD2 3.3Å; R185-D187 PolarHBondContact NH2-OD2 3.45Å; R185-D187 PolarHBondContact O-N 3.27Å; R185-V188 WeakPolarHBondContact O-CG2 2.83Å; R185-A207 HydrophobicContact CB-CB 3.91Å; R185-A207 HydrophobicContact CG-CB 4.43Å
186P93.7Very high91.9Very high58 Ų5864.6 Ų64.638%0.37735%0.352SS..G310 helixtrans-77.8-10.9-176.629.6-35.5000114.3K180 A184K180-P186 HydrophobicContact CB-CB 3.91Å; K180-P186 HydrophobicContact CG-CB 4.05Å; K180-P186 PolarHBondContact NZ-O 3.42Å; A184-P186 WeakPolarHBondContact O-CD 3.45Å
187D93.2Very high91.9Very high99 Ų9973.3 Ų73.353%0.52939%0.387SS..G310 helixtrans-62.6-39.7178.556.6-29.3000112.6R185 I189R185-D187 VanDerWaalsContact C-N 3.29Å; R185-D187 WeakPolarHBondContact CB-OD1 3.4Å; R185-D187 IonicContact CZ-OD2 2.74Å; R185-D187 IonicContact NE-OD1 3.8Å; R185-D187 IonicContact NE-OD2 3.25Å; R185-D187 IonicContact NH2-OD2 3.3Å; R185-D187 PolarHBondContact NH2-OD2 3.45Å; R185-D187 PolarHBondContact O-N 3.27Å; D187-I189 VanDerWaalsContact C-N 3.27Å; D187-I189 PolarHBondContact O-N 3.3Å
188V92.8Very high91.8Very high36 Ų3674.6 Ų74.622%0.21839%0.386CS..G310 helixtrans-77.4-7.8-175.7-58.40000114.9R185 K206 A207R185-V188 WeakPolarHBondContact O-CG2 2.83Å; V188-K206 HydrophobicContact CB-CB 4.23Å; V188-K206 HydrophobicContact CG2-CB 3.98Å; V188-A207 HydrophobicContact CG2-CB 4.15Å
189I93.4Very high91.9Very high6 Ų674.9 Ų74.93%0.03139%0.386CS..  trans-84122.2-174.4-63.3165.7000110.5V176 L179 K180 V183 D187 D193 A203V176-I189 HydrophobicContact CG1-CG2 4.39Å; L179-I189 HydrophobicContact CD2-CG2 3.92Å; L179-I189 HydrophobicContact CG-CD1 4.09Å; L179-I189 HydrophobicContact CG-CG2 4.32Å; K180-I189 HydrophobicContact CB-CD1 4.37Å; K180-I189 HydrophobicContact CG-CB 4.06Å; K180-I189 HydrophobicContact CG-CD1 3.84Å; K180-I189 HydrophobicContact CG-CG2 4.15Å; K180-I189 PolarHBondContact NZ-O 3.31Å; V183-I189 HydrophobicContact CB-CD1 3.85Å; V183-I189 HydrophobicContact CG1-CD1 4.17Å; V183-I189 HydrophobicContact CG2-CD1 3.95Å; D187-I189 VanDerWaalsContact C-N 3.27Å; D187-I189 PolarHBondContact O-N 3.3Å; I189-D193 WeakPolarHBondContact CA-OD2 3.48Å; I189-D193 HydrophobicContact CG2-CB 4.39Å; I189-A203 HydrophobicContact CG1-CB 4.39Å
190E92.6Very high91.8Very high89 Ų8978.6 Ų78.642%0.41641%0.406SS..  trans-105.1162.9-178.6-65.2-73-174.700112W192 D193E190-W192 HydrophobicContact CB-CD2 3.9Å; E190-W192 VanDerWaalsContact CB-CE2 3.43Å; E190-W192 HydrophobicContact CB-CE3 4.42Å; E190-W192 HydrophobicContact CB-CG 4.39Å; E190-W192 HydrophobicContact CB-CH2 4.14Å; E190-W192 HydrophobicContact CB-CZ2 3.59Å; E190-W192 HydrophobicContact CG-CH2 4.15Å; E190-W192 HydrophobicContact CG-CZ2 3.55Å; E190-W192 PolarHBondContact O-N 3.46Å; E190-W192 VanDerWaalsContact O-N 3.11Å; E190-D193 PolarHBondContact N-OD2 3.23Å; E190-D193 WeakPolarHBondContact O-CB 3.22Å; E190-D193 PolarHBondContact O-N 3.12Å; E190-D193 VanDerWaalsContact O-N 3.09Å
191M91Very high91.7Very high135 Ų13579.3 Ų79.367%0.66541%0.413SS*.THydrogen-bonded Turntrans-54.6-33.5-178.8-176.966.969.800113.6V176V176-M191 HydrophobicContact CG2-SD 4.09Å
192W91.8Very high91.8Very high103 Ų10375 Ų7539%0.3939%0.394SS..THydrogen-bonded Turntrans-86.5-9.5-177.150.478000114.3E190 V194 C195 W218E190-W192 HydrophobicContact CB-CD2 3.9Å; E190-W192 VanDerWaalsContact CB-CE2 3.43Å; E190-W192 HydrophobicContact CB-CE3 4.42Å; E190-W192 HydrophobicContact CB-CG 4.39Å; E190-W192 HydrophobicContact CB-CH2 4.14Å; E190-W192 HydrophobicContact CB-CZ2 3.59Å; E190-W192 HydrophobicContact CG-CH2 4.15Å; E190-W192 HydrophobicContact CG-CZ2 3.55Å; E190-W192 PolarHBondContact O-N 3.46Å; E190-W192 VanDerWaalsContact O-N 3.11Å; W192-V194 VanDerWaalsContact C-N 3.28Å; W192-V194 PolarHBondContact O-N 2.93Å; W192-C195 WeakPolarHBondContact O-CA 3.45Å; W192-C195 WeakPolarHBondContact O-CB 3.43Å; W192-C195 PolarHBondContact O-N 3.19Å; W192-W218 HydrophobicContact CB-CH2 4.27Å; W192-W218 HydrophobicContact CB-CZ2 4.45Å; W192-W218 AromaticContact CD1-CZ2 3.82Å; W192-W218 HydrophobicContact CD2-CH2 4.21Å; W192-W218 AromaticContact CD2-CZ2 3.55Å; W192-W218 HydrophobicContact CD2-CZ2 3.55Å; W192-W218 AromaticContact CE2-CZ2 3.6Å; W192-W218 HydrophobicContact CE3-CZ2 4.1Å; W192-W218 AromaticContact CG-CH2 3.97Å; W192-W218 HydrophobicContact CG-CH2 3.97Å; W192-W218 AromaticContact CG-CZ2 3.69Å; W192-W218 HydrophobicContact CG-CZ2 3.69Å; W192-W218 HydrophobicContact CZ2-CZ2 4.18Å; W192-W218 AromaticContact NE1-CZ2 3.73Å
193D94.1Very high92Very high2 Ų269 Ų691%0.01137%0.365CS..G310 helixtrans-69.9-31.1-176-66.3-21.3000112.5L179 I189 E190 C195 A196 L202 K206L179-D193 HydrophobicContact CD2-CB 4.17Å; I189-D193 WeakPolarHBondContact CA-OD2 3.48Å; I189-D193 HydrophobicContact CG2-CB 4.39Å; E190-D193 PolarHBondContact N-OD2 3.23Å; E190-D193 WeakPolarHBondContact O-CB 3.22Å; E190-D193 PolarHBondContact O-N 3.12Å; E190-D193 VanDerWaalsContact O-N 3.09Å; D193-C195 PolarHBondContact O-N 3.36Å; D193-C195 VanDerWaalsContact O-N 3.07Å; D193-A196 WeakPolarHBondContact O-CB 3.45Å; D193-A196 PolarHBondContact O-N 3.08Å; D193-L202 HydrophobicContact CB-CD2 4.19Å; D193-K206 VanDerWaalsContact OD1-CE 3.3Å; D193-K206 WeakPolarHBondContact OD1-CE 3.19Å; D193-K206 IonicContact OD1-NZ 2.93Å; D193-K206 PolarHBondContact OD1-NZ 3.4Å; D193-K206 IonicContact OD2-NZ 2.88Å; D193-K206 PolarHBondContact OD2-NZ 2.96Å
194V91.3Very high92.1Very high13 Ų1373.8 Ų73.88%0.07938%0.384CS..G310 helixtrans-53.8-26.3167.3165.10000111.9R173 P174 V176 L179 W192R173-V194 VanDerWaalsContact CD-CG1 3.48Å; R173-V194 HydrophobicContact CG-CB 4.49Å; R173-V194 HydrophobicContact CG-CG1 3.15Å; R173-V194 VanDerWaalsContact CG-O 3.28Å; R173-V194 WeakPolarHBondContact CG-O 3.33Å; R173-V194 PolarHBondContact NE-O 3.45Å; P174-V194 WeakPolarHBondContact O-CG1 3.35Å; V176-V194 HydrophobicContact CB-CG2 4.16Å; V176-V194 HydrophobicContact CG2-CB 4.45Å; V176-V194 HydrophobicContact CG2-CG2 3.53Å; L179-V194 HydrophobicContact CD2-CG2 4.27Å; W192-V194 VanDerWaalsContact C-N 3.28Å; W192-V194 PolarHBondContact O-N 2.93Å
195C89.6Confident92.3Very high65 Ų6573.2 Ų73.244%0.43937%0.366SS..G310 helixtrans-83.9-6.9179.4-57.30000115.3R173 W192 D193R173-C195 VanDerWaalsContact CZ-CA 3.49Å; R173-C195 PolarHBondContact NH1-SG 3.21Å; R173-C195 PolarHBondContact NH2-SG 3.04Å; R173-C195 VanDerWaalsContact NH2-SG 3.41Å; W192-C195 WeakPolarHBondContact O-CA 3.45Å; W192-C195 WeakPolarHBondContact O-CB 3.43Å; W192-C195 PolarHBondContact O-N 3.19Å; D193-C195 PolarHBondContact O-N 3.36Å; D193-C195 VanDerWaalsContact O-N 3.07Å
196A90.5Very high92.4Very high34 Ų3469.5 Ų69.528%0.28135%0.353SS..SBendtrans-64.4158.7-179.500000112.3D193 D198 L202D193-A196 WeakPolarHBondContact O-CB 3.45Å; D193-A196 PolarHBondContact O-N 3.08Å; A196-D198 VanDerWaalsContact C-N 3.29Å; A196-L202 HydrophobicContact CB-CB 4.45Å; A196-L202 HydrophobicContact CB-CD2 3.66Å
197K89.5Confident92.4Very high222 Ų22268.1 Ų68.197%0.96535%0.346SS*.SBendtrans-65-39.4172.7-68.3-179.8-177.4174.70111.1
198D91.4Very high92.4Very high79 Ų7970.3 Ų70.342%0.42235%0.349SS..SBendtrans-131.798.3174.9-173.4-16.5000108.4A196 L200 L201 L202A196-D198 VanDerWaalsContact C-N 3.29Å; D198-L200 PolarHBondContact OD1-N 2.9Å; D198-L201 HydrophobicContact CB-CB 4.18Å; D198-L201 VanDerWaalsContact CG-CB 3.46Å; D198-L201 PolarHBondContact OD1-N 3.04Å; D198-L201 VanDerWaalsContact OD1-N 3.12Å; D198-L201 WeakPolarHBondContact OD2-CB 3.49Å; D198-L202 WeakPolarHBondContact O-CB 3.48Å; D198-L202 PolarHBondContact O-N 3.26Å
199P92Very high92.5Very high21 Ų2178.1 Ų78.114%0.13637%0.374CS..Hα-helixtrans-73.6-27.7-176.728.5-33.3000113.1P174 L179 A203P174-P199 HydrophobicContact CG-CB 4.31Å; P174-P199 HydrophobicContact CG-CG 3.8Å; L179-P199 HydrophobicContact CD1-CB 3.93Å; L179-P199 HydrophobicContact CD1-CG 4.49Å; L179-P199 HydrophobicContact CD2-CB 3.91Å; P199-A203 WeakPolarHBondContact O-CB 3.29Å; P199-A203 PolarHBondContact O-N 3.07Å
200L90.7Very high92.4Very high78 Ų7882.6 Ų82.641%0.40840%0.398SS..Hα-helixtrans-75.5-45.8-178.6-67.6173.8000111L179 M182 V183 D198 L202 A203 F204L179-L200 HydrophobicContact CD1-CD2 3.8Å; M182-L200 HydrophobicContact CB-CD2 3.97Å; M182-L200 HydrophobicContact CE-CD1 3.81Å; M182-L200 HydrophobicContact CE-CD2 3.88Å; M182-L200 HydrophobicContact CE-CG 4.45Å; M182-L200 HydrophobicContact SD-CD2 4.12Å; V183-L200 HydrophobicContact CG2-CD2 4.44Å; D198-L200 PolarHBondContact OD1-N 2.9Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 2.99Å; L200-A203 PolarHBondContact O-N 3.24Å; L200-F204 PolarHBondContact O-N 2.88Å
201L93.1Very high92.5Very high91 Ų9181.7 Ų81.748%0.47640%0.399SS..Hα-helixtrans-62-41.6174.7178.262.1000111.5D198 A203 F204 L205D198-L201 HydrophobicContact CB-CB 4.18Å; D198-L201 VanDerWaalsContact CG-CB 3.46Å; D198-L201 PolarHBondContact OD1-N 3.04Å; D198-L201 VanDerWaalsContact OD1-N 3.12Å; D198-L201 WeakPolarHBondContact OD2-CB 3.49Å; L201-A203 VanDerWaalsContact C-N 3.33Å; L201-A203 PolarHBondContact O-N 3.34Å; L201-F204 WeakPolarHBondContact O-CB 3.46Å; L201-F204 PolarHBondContact O-N 3.39Å; L201-L205 HydrophobicContact CD1-CD1 4.45Å; L201-L205 HydrophobicContact CD1-CG 4.36Å; L201-L205 HydrophobicContact CG-CD1 4.25Å; L201-L205 WeakPolarHBondContact O-CG 3.46Å; L201-L205 PolarHBondContact O-N 3.23Å
202L93.5Very high92.6Very high55 Ų5578 Ų7829%0.28838%0.383SS..Hα-helixtrans-61.1-44.4176.5178.362.7000111.3D193 A196 D198 L200 F204 L205 K206D193-L202 HydrophobicContact CB-CD2 4.19Å; A196-L202 HydrophobicContact CB-CB 4.45Å; A196-L202 HydrophobicContact CB-CD2 3.66Å; D198-L202 WeakPolarHBondContact O-CB 3.48Å; D198-L202 PolarHBondContact O-N 3.26Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 2.99Å; L202-F204 VanDerWaalsContact C-N 3.32Å; L202-F204 PolarHBondContact O-N 3.09Å; L202-L205 PolarHBondContact O-N 2.82Å; L202-K206 HydrophobicContact CD1-CG 4.3Å; L202-K206 HydrophobicContact CG-CD 4.47Å; L202-K206 WeakPolarHBondContact O-CB 3.29Å; L202-K206 WeakPolarHBondContact O-CG 3.3Å; L202-K206 PolarHBondContact O-N 3.38Å
203A93.3Very high92.7Very high1 Ų177.5 Ų77.51%0.00839%0.394CS..Hα-helixtrans-62.7-40177.500000111.7V183 I189 P199 L200 L201 K206 A207V183-A203 HydrophobicContact CB-CB 4.46Å; V183-A203 HydrophobicContact CG1-CB 4.05Å; V183-A203 HydrophobicContact CG2-CB 3.57Å; I189-A203 HydrophobicContact CG1-CB 4.39Å; P199-A203 WeakPolarHBondContact O-CB 3.29Å; P199-A203 PolarHBondContact O-N 3.07Å; L200-A203 PolarHBondContact O-N 3.24Å; L201-A203 VanDerWaalsContact C-N 3.33Å; L201-A203 PolarHBondContact O-N 3.34Å; A203-K206 PolarHBondContact O-N 3.44Å; A203-A207 VanDerWaalsContact O-CB 3.25Å; A203-A207 WeakPolarHBondContact O-CB 3.36Å; A203-A207 PolarHBondContact O-N 2.92Å
204F93.8Very high92.7Very high124 Ų12482.4 Ų82.454%0.54442%0.423SS..Hα-helixtrans-60.5-46.7173.4179.8-99.1000112.2L200 L201 L202 K206 A207 Y208L200-F204 PolarHBondContact O-N 2.88Å; L201-F204 WeakPolarHBondContact O-CB 3.46Å; L201-F204 PolarHBondContact O-N 3.39Å; L202-F204 VanDerWaalsContact C-N 3.32Å; L202-F204 PolarHBondContact O-N 3.09Å; F204-K206 PolarHBondContact O-N 2.97Å; F204-A207 CarbonylContact O-C 3.55Å; F204-A207 PolarHBondContact O-N 3.4Å; F204-Y208 AromaticContact CE1-CD2 3.99Å; F204-Y208 HydrophobicContact CE1-CD2 3.99Å; F204-Y208 HydrophobicContact CE1-CE2 4.37Å; F204-Y208 HydrophobicContact CZ-CD2 4.01Å; F204-Y208 HydrophobicContact CZ-CE2 4.23Å; F204-Y208 PolarHBondContact O-N 3.18Å
205L94.2Very high92.8Very high95 Ų9584.2 Ų84.250%0.49744%0.435SS..Hα-helixtrans-66.4-36.2179.1-69.2175.1000112.9L201 L202 A207 Y208 T211L201-L205 HydrophobicContact CD1-CD1 4.45Å; L201-L205 HydrophobicContact CD1-CG 4.36Å; L201-L205 HydrophobicContact CG-CD1 4.25Å; L201-L205 WeakPolarHBondContact O-CG 3.46Å; L201-L205 PolarHBondContact O-N 3.23Å; L202-L205 PolarHBondContact O-N 2.82Å; L205-A207 VanDerWaalsContact C-N 3.34Å; L205-Y208 WeakPolarHBondContact O-CB 3.44Å; L205-Y208 PolarHBondContact O-N 2.8Å; L205-T211 PolarHBondContact O-OG1 2.89Å
206K94.4Very high92.8Very high53 Ų5389.2 Ų89.223%0.2345%0.449CS..Hα-helixtrans-69.6-30.8173.6-76.7-170.9177-1650113.1V188 D193 L202 A203 F204 T211V188-K206 HydrophobicContact CB-CB 4.23Å; V188-K206 HydrophobicContact CG2-CB 3.98Å; D193-K206 VanDerWaalsContact OD1-CE 3.3Å; D193-K206 WeakPolarHBondContact OD1-CE 3.19Å; D193-K206 IonicContact OD1-NZ 2.93Å; D193-K206 PolarHBondContact OD1-NZ 3.4Å; D193-K206 IonicContact OD2-NZ 2.88Å; D193-K206 PolarHBondContact OD2-NZ 2.96Å; L202-K206 HydrophobicContact CD1-CG 4.3Å; L202-K206 HydrophobicContact CG-CD 4.47Å; L202-K206 WeakPolarHBondContact O-CB 3.29Å; L202-K206 WeakPolarHBondContact O-CG 3.3Å; L202-K206 PolarHBondContact O-N 3.38Å; A203-K206 PolarHBondContact O-N 3.44Å; F204-K206 PolarHBondContact O-N 2.97Å; K206-T211 WeakPolarHBondContact O-CG2 3.37Å
207A93.6Very high92.9Very high29 Ų2991.5 Ų91.524%0.2445%0.454CS..Hα-helixtrans-86-7.6177.800000113.3R185 V188 A203 F204 L205R185-A207 HydrophobicContact CB-CB 3.91Å; R185-A207 HydrophobicContact CG-CB 4.43Å; V188-A207 HydrophobicContact CG2-CB 4.15Å; A203-A207 VanDerWaalsContact O-CB 3.25Å; A203-A207 WeakPolarHBondContact O-CB 3.36Å; A203-A207 PolarHBondContact O-N 2.92Å; F204-A207 CarbonylContact O-C 3.55Å; F204-A207 PolarHBondContact O-N 3.4Å; L205-A207 VanDerWaalsContact C-N 3.34Å
208Y94Very high93.1Very high146 Ų14687.2 Ų87.257%0.57343%0.432SS*.SBendtrans-65.6143-176.8-158.9-96.8000111.7F204 L205 N210 T211F204-Y208 AromaticContact CE1-CD2 3.99Å; F204-Y208 HydrophobicContact CE1-CD2 3.99Å; F204-Y208 HydrophobicContact CE1-CE2 4.37Å; F204-Y208 HydrophobicContact CZ-CD2 4.01Å; F204-Y208 HydrophobicContact CZ-CE2 4.23Å; F204-Y208 PolarHBondContact O-N 3.18Å; L205-Y208 WeakPolarHBondContact O-CB 3.44Å; L205-Y208 PolarHBondContact O-N 2.8Å; Y208-N210 PolarHBondContact O-N 2.97Å; Y208-T211 WeakPolarHBondContact O-CB 3.47Å; Y208-T211 WeakPolarHBondContact O-CG2 3.49Å; Y208-T211 PolarHBondContact O-N 3.45Å
209R93.9Very high93Very high200 Ų20087.2 Ų87.276%0.75544%0.438SS*.THydrogen-bonded Turntrans-60.7136.3-175.8178.4174.7157.983.30.4111T211R209-T211 PolarHBondContact O-N 2.95Å
210N92.4Very high93Very high100 Ų10088.9 Ų88.954%0.53545%0.453SS..THydrogen-bonded Turntrans61.716.6178.2-58.9-7.6000115.1Y208 H301Y208-N210 PolarHBondContact O-N 2.97Å; N210-H301 PolarHBondContact O-CE1 3Å; N210-H301 PolarHBondContact O-NE2 3.17Å; N210-H301 VanDerWaalsContact O-NE2 3.09Å
211T93.9Very high93Very high70 Ų7093.2 Ų93.243%0.42947%0.468SS..PPolyproline II helixtrans-71.1138.9170.2-161.80000110.6L205 K206 Y208 R209L205-T211 PolarHBondContact O-OG1 2.89Å; K206-T211 WeakPolarHBondContact O-CG2 3.37Å; Y208-T211 WeakPolarHBondContact O-CB 3.47Å; Y208-T211 WeakPolarHBondContact O-CG2 3.49Å; Y208-T211 PolarHBondContact O-N 3.45Å; R209-T211 PolarHBondContact O-N 2.95Å
212V93.7Very high92.7Very high56 Ų5697.7 Ų97.734%0.33948%0.479SS..PPolyproline II helixtrans-98.8127.3177.2-177.20000108.1L304V212-L304 HydrophobicContact CG1-CD1 3.59Å; V212-L304 HydrophobicContact CG1-CD2 3.87Å; V212-L304 HydrophobicContact CG1-CG 3.67Å
213P93.7Very high92.6Very high94 Ų94102.3 Ų102.361%0.6150%0.497SS*.PPolyproline II helixtrans-65.4156.6-179.327.7-35.2000111.7L304P213-L304 VanDerWaalsContact O-CD1 3.28Å; P213-L304 WeakPolarHBondContact O-CD1 3.46Å
214V93.7Very high92.4Very high104 Ų104105.6 Ų105.663%0.6351%0.51SS*.PPolyproline II helixtrans-64133.7175.8-178.60000109.9K216 W218V214-K216 PolarHBondContact O-N 3.24Å; V214-W218 HydrophobicContact CG1-CB 4.5Å; V214-W218 HydrophobicContact CG1-CG 4.35Å
215P94.1Very high92.1Very high51 Ų51104.2 Ų104.233%0.33151%0.507SS..PPolyproline II helixtrans-53.7131.7178.7-27.833.8000113.4H217 W218 L304P215-H217 WeakPolarHBondContact CB-ND1 3.4Å; P215-H217 PolarHBondContact O-N 3.34Å; P215-W218 VanDerWaalsContact O-CD1 3.28Å; P215-W218 PolarHBondContact O-N 2.96Å; P215-L304 HydrophobicContact CG-CD1 4.12Å
216K90.1Very high91.8Very high170 Ų170104.5 Ų104.574%0.73951%0.506SS*.G310 helixtrans-56.2-22-171.4-64.2-178.4-179.9176.90115.5V214 W218 C219V214-K216 PolarHBondContact O-N 3.24Å; K216-W218 VanDerWaalsContact C-N 3.25Å; K216-W218 PolarHBondContact O-N 3.49Å; K216-C219 PolarHBondContact O-SG 2.95Å
217H92.2Very high91.3Very high82 Ų82104.3 Ų104.338%0.3852%0.519SS..G310 helixtrans-73.4-8.6-174.870.1-96.1000114.8P215 C219 A220 Y224P215-H217 WeakPolarHBondContact CB-ND1 3.4Å; P215-H217 PolarHBondContact O-N 3.34Å; H217-C219 PolarHBondContact O-N 2.92Å; H217-A220 WeakPolarHBondContact O-CB 3.3Å; H217-A220 PolarHBondContact O-N 3.44Å; H217-Y224 HydrophobicContact CB-CD2 3.67Å; H217-Y224 HydrophobicContact CB-CE2 4.27Å; H217-Y224 AromaticContact CD2-CD2 3.89Å; H217-Y224 AromaticContact CE1-CD2 3.74Å; H217-Y224 AromaticContact CE1-CE2 3.95Å; H217-Y224 AromaticContact CG-CD2 3.33Å; H217-Y224 AromaticContact CG-CE2 3.91Å; H217-Y224 AromaticContact ND1-CD2 3.24Å; H217-Y224 WeakPolarHBondContact ND1-CD2 3.28Å; H217-Y224 AromaticContact ND1-CE2 3.37Å; H217-Y224 WeakPolarHBondContact ND1-CE2 3.47Å
218W93.6Very high90.8Very high132 Ų132104.9 Ų104.950%0.552%0.517SS..G310 helixtrans-59.8-27.9-177.476-89.6000113.6W192 V214 P215 K216W192-W218 HydrophobicContact CB-CH2 4.27Å; W192-W218 HydrophobicContact CB-CZ2 4.45Å; W192-W218 AromaticContact CD1-CZ2 3.82Å; W192-W218 HydrophobicContact CD2-CH2 4.21Å; W192-W218 AromaticContact CD2-CZ2 3.55Å; W192-W218 HydrophobicContact CD2-CZ2 3.55Å; W192-W218 AromaticContact CE2-CZ2 3.6Å; W192-W218 HydrophobicContact CE3-CZ2 4.1Å; W192-W218 AromaticContact CG-CH2 3.97Å; W192-W218 HydrophobicContact CG-CH2 3.97Å; W192-W218 AromaticContact CG-CZ2 3.69Å; W192-W218 HydrophobicContact CG-CZ2 3.69Å; W192-W218 HydrophobicContact CZ2-CZ2 4.18Å; W192-W218 AromaticContact NE1-CZ2 3.73Å; V214-W218 HydrophobicContact CG1-CB 4.5Å; V214-W218 HydrophobicContact CG1-CG 4.35Å; P215-W218 VanDerWaalsContact O-CD1 3.28Å; P215-W218 PolarHBondContact O-N 2.96Å; K216-W218 VanDerWaalsContact C-N 3.25Å; K216-W218 PolarHBondContact O-N 3.49Å
219C90.2Very high89.9Confident80 Ų80109.7 Ų109.754%0.54153%0.534SS..G310 helixtrans-96.5-0.917865.20000113.3K216 H217K216-C219 PolarHBondContact O-SG 2.95Å; H217-C219 PolarHBondContact O-N 2.92Å
220A90.3Very high89.2Confident55 Ų55104.1 Ų104.146%0.45554%0.538SS..  trans-78.3141.5178.300000111H217 R222H217-A220 WeakPolarHBondContact O-CB 3.3Å; H217-A220 PolarHBondContact O-N 3.44Å; A220-R222 VanDerWaalsContact C-N 3.33Å
221K90.6Very high88.6Confident169 Ų169104 Ų10474%0.73553%0.533SS*.SBendtrans-76.8-21.5174.6-65.1-173.8-172.6166.60113.3Y82Y82-K221 VanDerWaalsContact CZ-NZ 3.35Å; Y82-K221 VanDerWaalsContact OH-CD 3.32Å; Y82-K221 WeakPolarHBondContact OH-CD 3.36Å; Y82-K221 VanDerWaalsContact OH-CE 3.26Å; Y82-K221 WeakPolarHBondContact OH-CE 3.35Å; Y82-K221 PolarHBondContact OH-NZ 3.43Å
222R88.7Confident88.1Confident185 Ų185109.2 Ų109.270%0.69855%0.552SS**SBendtrans-83.3150.6-179.7-63-178.1177.9118.9-2.3109.4A220A220-R222 VanDerWaalsContact C-N 3.33Å
223K90.1Very high87.8Confident152 Ų152114.7 Ų114.766%0.66157%0.572SS**  trans-67.9147.4168.8-53.6-173.1-175.8-179.30108.8L225 Q226K223-L225 VanDerWaalsContact C-N 3.27Å; K223-L225 PolarHBondContact O-N 2.95Å; K223-Q226 HydrophobicContact CB-CG 3.86Å; K223-Q226 VanDerWaalsContact N-OE1 3.16Å; K223-Q226 WeakPolarHBondContact O-CB 3.15Å; K223-Q226 PolarHBondContact O-N 3.43Å
224Y89.2Confident87.6Confident71 Ų71114.6 Ų114.628%0.27857%0.571SS.*THydrogen-bonded Turntrans-44-36.6-165.5176-122.9000117.3H217 Y305H217-Y224 HydrophobicContact CB-CD2 3.67Å; H217-Y224 HydrophobicContact CB-CE2 4.27Å; H217-Y224 AromaticContact CD2-CD2 3.89Å; H217-Y224 AromaticContact CE1-CD2 3.74Å; H217-Y224 AromaticContact CE1-CE2 3.95Å; H217-Y224 AromaticContact CG-CD2 3.33Å; H217-Y224 AromaticContact CG-CE2 3.91Å; H217-Y224 AromaticContact ND1-CD2 3.24Å; H217-Y224 WeakPolarHBondContact ND1-CD2 3.28Å; H217-Y224 AromaticContact ND1-CE2 3.37Å; H217-Y224 WeakPolarHBondContact ND1-CE2 3.47Å; Y224-Y305 HydrophobicContact CE1-CD1 4.31Å; Y224-Y305 HydrophobicContact CE1-CE1 4.5Å; Y224-Y305 VanDerWaalsContact OH-C 3.25Å; Y224-Y305 WeakPolarHBondContact OH-CD1 3.05Å; Y224-Y305 PolarHBondContact OH-O 3.08Å
225L88.5Confident87.5Confident94 Ų94115.5 Ų115.549%0.49258%0.579SS.*THydrogen-bonded Turntrans-115.312-177.6-64.6173.6000114.3K223 G227 K228 Y305K223-L225 VanDerWaalsContact C-N 3.27Å; K223-L225 PolarHBondContact O-N 2.95Å; L225-G227 VanDerWaalsContact C-N 3.32Å; L225-G227 PolarHBondContact O-N 3.1Å; L225-K228 PolarHBondContact O-N 3.28Å; L225-Y305 HydrophobicContact CD2-CE1 4.14Å
226Q87.3Confident87.4Confident101 Ų101121.3 Ų121.347%0.47260%0.599SS.*G310 helixtrans-74.9-17.9-175-81.5-179.2-20.400114.3K223 K228 R229K223-Q226 HydrophobicContact CB-CG 3.86Å; K223-Q226 VanDerWaalsContact N-OE1 3.16Å; K223-Q226 WeakPolarHBondContact O-CB 3.15Å; K223-Q226 PolarHBondContact O-N 3.43Å; Q226-K228 PolarHBondContact O-N 2.89Å; Q226-R229 WeakPolarHBondContact O-CB 3.37Å; Q226-R229 PolarHBondContact O-N 2.8Å
227G82.8Confident87.5Confident50 Ų50122.5 Ų122.552%0.51560%0.599SS.*G310 helixtrans-70.2-20.6175.400000112.8L225 R229 E307L225-G227 VanDerWaalsContact C-N 3.32Å; L225-G227 PolarHBondContact O-N 3.1Å; G227-R229 PolarHBondContact O-N 2.95Å; G227-E307 WeakPolarHBondContact CA-OE1 3.46Å; G227-E307 PolarHBondContact N-OE1 3.44Å
228K83.5Confident87.5Confident41 Ų41120.8 Ų120.818%0.17859%0.593CS.*G310 helixtrans-72.41.9174.4-61.3-71.4172162.40114.8L225 Q226 G230 F231 E307 E310L225-K228 PolarHBondContact O-N 3.28Å; Q226-K228 PolarHBondContact O-N 2.89Å; K228-G230 PolarHBondContact O-N 2.73Å; K228-F231 PolarHBondContact O-N 3.45Å; K228-E307 HydrophobicContact CD-CG 4.44Å; K228-E307 HydrophobicContact CG-CG 4.21Å; K228-E307 PolarHBondContact N-OE1 3.48Å; K228-E310 WeakPolarHBondContact CE-OE1 3.44Å; K228-E310 IonicContact NZ-OE1 2.95Å; K228-E310 PolarHBondContact NZ-OE1 3.09Å; K228-E310 IonicContact NZ-OE2 2.68Å
229R75.1Confident87.5Confident247 Ų247116.9 Ų116.993%0.93258%0.584SS**G310 helixtrans-64.3-8.2-172.5-170169.9178-165.9-1.6115.6Q226 G227Q226-R229 WeakPolarHBondContact O-CB 3.37Å; Q226-R229 PolarHBondContact O-N 2.8Å; G227-R229 PolarHBondContact O-N 2.95Å
230G80.4Confident87.6Confident82 Ų82117.3 Ų117.385%0.84558%0.581SS**G310 helixtrans-117.34.1172.200000114.2K228K228-G230 PolarHBondContact O-N 2.73Å
231F79.5Confident87.7Confident99 Ų99115.2 Ų115.243%0.43456%0.562SS.*  trans-100.3117.1-175.8-174.1-94.7000110.3K228 K233 F311K228-F231 PolarHBondContact O-N 3.45Å; F231-K233 PolarHBondContact O-N 2.78Å; F231-F311 HydrophobicContact CD1-CE1 4.49Å; F231-F311 AromaticContact CD1-CZ 3.82Å; F231-F311 HydrophobicContact CD1-CZ 3.82Å; F231-F311 HydrophobicContact CD2-CE1 4.21Å; F231-F311 HydrophobicContact CD2-CE2 4.46Å; F231-F311 AromaticContact CD2-CZ 3.6Å; F231-F311 HydrophobicContact CD2-CZ 3.6Å; F231-F311 AromaticContact CE1-CE1 3.81Å; F231-F311 HydrophobicContact CE1-CE1 3.81Å; F231-F311 AromaticContact CE1-CZ 3.59Å; F231-F311 HydrophobicContact CE1-CZ 3.59Å; F231-F311 AromaticContact CE2-CE1 3.49Å; F231-F311 HydrophobicContact CE2-CE1 3.49Å; F231-F311 VanDerWaalsContact CE2-CE1 3.49Å; F231-F311 HydrophobicContact CE2-CE2 4.49Å; F231-F311 AromaticContact CE2-CZ 3.36Å; F231-F311 HydrophobicContact CE2-CZ 3.36Å; F231-F311 AromaticContact CG-CZ 3.84Å; F231-F311 HydrophobicContact CG-CZ 3.84Å; F231-F311 AromaticContact CZ-CE1 3.27Å; F231-F311 HydrophobicContact CZ-CE1 3.27Å; F231-F311 AromaticContact CZ-CZ 3.37Å; F231-F311 HydrophobicContact CZ-CZ 3.37Å
232E83.3Confident87.8Confident178 Ų178109 Ų10983%0.83254%0.536SS*.  trans-79.3108.1173.2-169.8168.4-167.600109.5
233K87.6Confident87.9Confident172 Ų172101.6 Ų101.675%0.74852%0.515SS*.PPolyproline II helixtrans-74.2130.1174.5-176.1-175.4173.4-177.90108.4F231F231-K233 PolarHBondContact O-N 2.78Å
234P88.2Confident88Confident92 Ų92101.7 Ų101.760%0.59751%0.511SS*.PPolyproline II helixtrans-58.7150.9174.125.7-34.4000110.6
235P91.3Very high88.1Confident122 Ų12298.8 Ų98.879%0.79250%0.501SS*.PPolyproline II helixtrans-60.2164.4175.726.9-34.2000111R237P235-R237 PolarHBondContact O-N 3.15Å; P235-R237 VanDerWaalsContact O-N 3.17Å
236F93.5Very high88.3Confident173 Ų17395.4 Ų95.476%0.75949%0.488SS*.PPolyproline II helixtrans-63.8119.8-176.9-177.8-109.9000111.2L238F236-L238 HydrophobicContact CD1-CD2 4.3Å; F236-L238 HydrophobicContact CE1-CD2 4Å
237R91.6Very high88.4Confident196 Ų19691.9 Ų91.974%0.7447%0.472SS*.PPolyproline II helixtrans-82.2120.5170.6-179.9175.2170.8172-3.1109.2P235 D240P235-R237 PolarHBondContact O-N 3.15Å; P235-R237 VanDerWaalsContact O-N 3.17Å; R237-D240 IonicContact CZ-OD1 3.1Å; R237-D240 IonicContact NE-OD1 2.62Å; R237-D240 IonicContact NH2-OD1 2.84Å; R237-D240 PolarHBondContact NH2-OD1 2.89Å; R237-D240 VanDerWaalsContact NH2-OD1 3.1Å
238L92.6Very high88.8Confident46 Ų4694.5 Ų94.524%0.24147%0.473CS..PPolyproline II helixtrans-64.8144.4174.7-72.3164.4000110.6F236 I242 A243 I247 M248F236-L238 HydrophobicContact CD1-CD2 4.3Å; F236-L238 HydrophobicContact CE1-CD2 4Å; L238-I242 HydrophobicContact CD2-CG2 4.13Å; L238-A243 HydrophobicContact CB-CB 4.45Å; L238-I247 HydrophobicContact CD1-CG2 4.45Å; L238-M248 HydrophobicContact CD1-CB 4.14Å
239P92.9Very high89.2Confident49 Ų4999.3 Ų99.332%0.31850%0.495SS..PPolyproline II helixtrans-54.6144.2168.4-23.733.3000111.3F241 I242 A243P239-F241 HydrophobicContact CB-CD1 3.89Å; P239-F241 HydrophobicContact CB-CE1 3.38Å; P239-F241 HydrophobicContact CB-CE2 4.48Å; P239-F241 HydrophobicContact CB-CZ 3.7Å; P239-F241 HydrophobicContact CG-CE1 4.32Å; P239-F241 HydrophobicContact CG-CZ 4.24Å; P239-F241 PolarHBondContact O-N 3.43Å; P239-F241 VanDerWaalsContact O-N 3.14Å; P239-I242 HydrophobicContact CG-CD1 4.22Å; P239-I242 PolarHBondContact O-N 3.26Å; P239-A243 PolarHBondContact O-N 3.16Å
240D92.1Very high89.8Confident89 Ų8990.3 Ų90.348%0.47647%0.465SS..Hα-helixtrans-63-27.9-169-55.9-40.8000113.1R237 R244R237-D240 IonicContact CZ-OD1 3.1Å; R237-D240 IonicContact NE-OD1 2.62Å; R237-D240 IonicContact NH2-OD1 2.84Å; R237-D240 PolarHBondContact NH2-OD1 2.89Å; R237-D240 VanDerWaalsContact NH2-OD1 3.1Å; D240-R244 WeakPolarHBondContact O-CB 3.49Å; D240-R244 VanDerWaalsContact O-CG 3.28Å; D240-R244 WeakPolarHBondContact O-CG 3.49Å; D240-R244 PolarHBondContact O-N 3.04Å; D240-R244 VanDerWaalsContact O-N 3.09Å; D240-R244 PolarHBondContact O-NE 3.47Å
241F92.6Very high90.4Very high12 Ų1294 Ų945%0.05345%0.453CS..Hα-helixtrans-72.7-30.5174.760.5-90.1000113.2P239 A288 Y292 T294P239-F241 HydrophobicContact CB-CD1 3.89Å; P239-F241 HydrophobicContact CB-CE1 3.38Å; P239-F241 HydrophobicContact CB-CE2 4.48Å; P239-F241 HydrophobicContact CB-CZ 3.7Å; P239-F241 HydrophobicContact CG-CE1 4.32Å; P239-F241 HydrophobicContact CG-CZ 4.24Å; P239-F241 PolarHBondContact O-N 3.43Å; P239-F241 VanDerWaalsContact O-N 3.14Å; F241-A288 WeakPolarHBondContact CD2-O 3.38Å; F241-Y292 WeakPolarHBondContact CB-O 3.29Å; F241-T294 HydrophobicContact CD1-CG2 4.45Å; F241-T294 VanDerWaalsContact CD1-OG1 3.28Å; F241-T294 WeakPolarHBondContact CD1-OG1 3.24Å; F241-T294 WeakPolarHBondContact CE1-OG1 3.47Å
242I92.7Very high91Very high37 Ų3793.7 Ų93.719%0.1945%0.453CS..Hα-helixtrans-77.9-40.3172.5-57.6-177.1000109.9L238 P239 R244 T245 I247 F289L238-I242 HydrophobicContact CD2-CG2 4.13Å; P239-I242 HydrophobicContact CG-CD1 4.22Å; P239-I242 PolarHBondContact O-N 3.26Å; I242-R244 PolarHBondContact O-N 3.04Å; I242-T245 WeakPolarHBondContact O-CB 3.31Å; I242-T245 WeakPolarHBondContact O-CG2 3.35Å; I242-T245 PolarHBondContact O-N 3.37Å; I242-T245 PolarHBondContact O-OG1 3.41Å; I242-I247 HydrophobicContact CG2-CG2 4.21Å; I242-F289 HydrophobicContact CD1-CE1 4.31Å; I242-F289 HydrophobicContact CD1-CZ 4.33Å
243A91.9Very high91.4Very high31 Ų3188.4 Ų88.426%0.25643%0.433SS..Hα-helixtrans-58.7-39.1177.100000111.7L238 P239 T245 G246L238-A243 HydrophobicContact CB-CB 4.45Å; P239-A243 PolarHBondContact O-N 3.16Å; A243-T245 PolarHBondContact O-N 3.35Å; A243-T245 VanDerWaalsContact O-N 3.16Å; A243-G246 PolarHBondContact O-N 2.91Å; A243-G246 VanDerWaalsContact O-N 3.08Å
244R91.3Very high91.5Very high153 Ų15381.4 Ų81.458%0.57741%0.405SS*.THydrogen-bonded Turntrans-61.7-16.8175.1-81-177.2-81.9156.8-8.8115.1D240 I242 G246D240-R244 WeakPolarHBondContact O-CB 3.49Å; D240-R244 VanDerWaalsContact O-CG 3.28Å; D240-R244 WeakPolarHBondContact O-CG 3.49Å; D240-R244 PolarHBondContact O-N 3.04Å; D240-R244 VanDerWaalsContact O-N 3.09Å; D240-R244 PolarHBondContact O-NE 3.47Å; I242-R244 PolarHBondContact O-N 3.04Å; R244-G246 PolarHBondContact O-N 3.28Å
245T92.6Very high91.7Very high11 Ų1183 Ų837%0.06740%0.404CS..THydrogen-bonded Turntrans-68.5-14.7173.1670000112.9I242 A243 I247 L285 A288I242-T245 WeakPolarHBondContact O-CB 3.31Å; I242-T245 WeakPolarHBondContact O-CG2 3.35Å; I242-T245 PolarHBondContact O-N 3.37Å; I242-T245 PolarHBondContact O-OG1 3.41Å; A243-T245 PolarHBondContact O-N 3.35Å; A243-T245 VanDerWaalsContact O-N 3.16Å; T245-I247 VanDerWaalsContact C-N 3.25Å; T245-I247 PolarHBondContact O-N 2.96Å; T245-I247 VanDerWaalsContact OG1-CG2 3.29Å; T245-I247 WeakPolarHBondContact OG1-CG2 3.34Å; T245-I247 PolarHBondContact OG1-N 3.47Å; T245-L285 HydrophobicContact CG2-CD2 4.02Å; T245-A288 HydrophobicContact CG2-CB 3.55Å
246G91Very high91.8Very high22 Ų2280.6 Ų80.623%0.22739%0.385CS..THydrogen-bonded Turntrans800.8-175.900000113.9A243 R244 M248 E249 M250A243-G246 PolarHBondContact O-N 2.91Å; A243-G246 VanDerWaalsContact O-N 3.08Å; R244-G246 PolarHBondContact O-N 3.28Å; G246-M248 PolarHBondContact O-N 2.95Å; G246-E249 PolarHBondContact O-N 3.47Å; G246-M250 WeakPolarHBondContact O-CG 3.32Å; G246-M250 PolarHBondContact O-N 3.28Å; G246-M250 VanDerWaalsContact O-N 3.11Å
247I90Very high91.7Very high27 Ų2778.6 Ų78.614%0.13838%0.376CS..Hα-helixtrans-59.1-32-177.5-171.862.8000113.2L238 I242 T245 R251 V278 I280L238-I247 HydrophobicContact CD1-CG2 4.45Å; I242-I247 HydrophobicContact CG2-CG2 4.21Å; T245-I247 VanDerWaalsContact C-N 3.25Å; T245-I247 PolarHBondContact O-N 2.96Å; T245-I247 VanDerWaalsContact OG1-CG2 3.29Å; T245-I247 WeakPolarHBondContact OG1-CG2 3.34Å; T245-I247 PolarHBondContact OG1-N 3.47Å; I247-R251 HydrophobicContact CD1-CG 3.82Å; I247-R251 HydrophobicContact CG1-CG 4.12Å; I247-R251 VanDerWaalsContact O-CB 3.31Å; I247-R251 WeakPolarHBondContact O-CB 3.35Å; I247-R251 WeakPolarHBondContact O-CG 2.91Å; I247-R251 PolarHBondContact O-N 3.05Å; I247-V278 HydrophobicContact CD1-CG1 3.85Å; I247-I280 HydrophobicContact CB-CD1 3.89Å; I247-I280 HydrophobicContact CD1-CD1 3.38Å; I247-I280 HydrophobicContact CG1-CD1 4.16Å
248M91.1Very high91.6Very high106 Ų10671.9 Ų71.952%0.52235%0.354SS..Hα-helixtrans-63.7-50.4180-174.4173.667.700110.9L238 G246 Q252L238-M248 HydrophobicContact CD1-CB 4.14Å; G246-M248 PolarHBondContact O-N 2.95Å; M248-Q252 WeakPolarHBondContact O-CB 3.43Å; M248-Q252 PolarHBondContact O-N 2.74Å
249E91.5Very high91.6Very high141 Ų14173.5 Ų73.566%0.65937%0.37SS*.Hα-helixtrans-65.9-46.9179.5-64.7173.9-173.200110.8G246 R251 Q252 T253G246-E249 PolarHBondContact O-N 3.47Å; E249-R251 PolarHBondContact O-N 2.82Å; E249-Q252 PolarHBondContact O-N 3.25Å; E249-T253 WeakPolarHBondContact O-CG2 3.2Å; E249-T253 PolarHBondContact O-N 3.26Å
250M89.4Confident91.6Very high59 Ų5977.6 Ų77.629%0.29139%0.389SS..Hα-helixtrans-64.8-41.8-178.2-60.7-155.8-36.800112.6G246 T253 V254 V278 I280G246-M250 WeakPolarHBondContact O-CG 3.32Å; G246-M250 PolarHBondContact O-N 3.28Å; G246-M250 VanDerWaalsContact O-N 3.11Å; M250-T253 PolarHBondContact O-N 3.43Å; M250-T253 PolarHBondContact O-OG1 3.39Å; M250-V254 WeakPolarHBondContact O-CG2 3.38Å; M250-V254 PolarHBondContact O-N 2.95Å; M250-V254 VanDerWaalsContact O-N 3.16Å; M250-V278 HydrophobicContact CB-CG1 4.39Å; M250-V278 HydrophobicContact CE-CB 4.48Å; M250-V278 HydrophobicContact CE-CG1 3.55Å; M250-I280 HydrophobicContact CE-CB 4.44Å; M250-I280 HydrophobicContact CE-CD1 3.62Å; M250-I280 HydrophobicContact CE-CG1 3.08Å
251R92.1Very high91.5Very high158 Ų15875.3 Ų75.360%0.59638%0.375SS*.Hα-helixtrans-66.4-38.6174.9-75.9-173.8-176.6-80.3-5.3112I247 E249 V254 Q255I247-R251 HydrophobicContact CD1-CG 3.82Å; I247-R251 HydrophobicContact CG1-CG 4.12Å; I247-R251 VanDerWaalsContact O-CB 3.31Å; I247-R251 WeakPolarHBondContact O-CB 3.35Å; I247-R251 WeakPolarHBondContact O-CG 2.91Å; I247-R251 PolarHBondContact O-N 3.05Å; E249-R251 PolarHBondContact O-N 2.82Å; R251-V254 PolarHBondContact O-N 2.93Å; R251-Q255 WeakPolarHBondContact O-CB 3.33Å; R251-Q255 PolarHBondContact O-N 2.88Å
252Q91.6Very high91.5Very high93 Ų9378.9 Ų78.944%0.43540%0.398SS..Hα-helixtrans-60.4-47.7176.1-17162.144.100110.6M248 E249 V254 Q255 D256M248-Q252 WeakPolarHBondContact O-CB 3.43Å; M248-Q252 PolarHBondContact O-N 2.74Å; E249-Q252 PolarHBondContact O-N 3.25Å; Q252-V254 VanDerWaalsContact C-N 3.26Å; Q252-V254 PolarHBondContact O-N 2.62Å; Q252-Q255 WeakPolarHBondContact O-CB 3.46Å; Q252-Q255 PolarHBondContact O-N 2.67Å; Q252-Q255 VanDerWaalsContact O-N 3.09Å; Q252-D256 PolarHBondContact NE2-OD1 2.73Å; Q252-D256 PolarHBondContact O-N 3.11Å
253T91.6Very high91.3Very high68 Ų6884.2 Ų84.242%0.41743%0.426SS..Hα-helixtrans-61.8-32.3177.566.40000113.4E249 M250 K257E249-T253 WeakPolarHBondContact O-CG2 3.2Å; E249-T253 PolarHBondContact O-N 3.26Å; M250-T253 PolarHBondContact O-N 3.43Å; M250-T253 PolarHBondContact O-OG1 3.39Å; T253-K257 WeakPolarHBondContact O-CB 3.48Å; T253-K257 WeakPolarHBondContact O-CD 3.21Å; T253-K257 WeakPolarHBondContact O-CG 3.11Å; T253-K257 PolarHBondContact O-N 3.06Å
254V91Very high91.4Very high25 Ų2591.3 Ų91.315%0.15245%0.451CS..Hα-helixtrans-73.1-39.2175.4171.50000111.3M250 R251 Q252 K257 D258 K277 V278M250-V254 WeakPolarHBondContact O-CG2 3.38Å; M250-V254 PolarHBondContact O-N 2.95Å; M250-V254 VanDerWaalsContact O-N 3.16Å; R251-V254 PolarHBondContact O-N 2.93Å; Q252-V254 VanDerWaalsContact C-N 3.26Å; Q252-V254 PolarHBondContact O-N 2.62Å; V254-K257 PolarHBondContact O-N 3.41Å; V254-D258 WeakPolarHBondContact O-CB 3.38Å; V254-D258 PolarHBondContact O-N 3.42Å; V254-K277 HydrophobicContact CG1-CD 4.21Å; V254-K277 HydrophobicContact CG2-CB 4.11Å; V254-V278 HydrophobicContact CB-CG2 4.38Å; V254-V278 HydrophobicContact CG2-CG2 3.65Å
255Q92.1Very high91.3Very high126 Ų12686.7 Ų86.759%0.58944%0.44SS*.Hα-helixtrans-63.6-44.3175.3-174.6172.57.800111.4R251 Q252 D258 S259R251-Q255 WeakPolarHBondContact O-CB 3.33Å; R251-Q255 PolarHBondContact O-N 2.88Å; Q252-Q255 WeakPolarHBondContact O-CB 3.46Å; Q252-Q255 PolarHBondContact O-N 2.67Å; Q252-Q255 VanDerWaalsContact O-N 3.09Å; Q255-D258 CarbonylContact O-C 3.39Å; Q255-D258 PolarHBondContact O-N 3.23Å; Q255-D258 VanDerWaalsContact O-N 3.16Å; Q255-S259 PolarHBondContact O-N 2.93Å; Q255-S259 PolarHBondContact O-OG 2.81Å
256D93.1Very high91.2Very high71 Ų7190.8 Ų90.838%0.3846%0.456SS..Hα-helixtrans-64.5-44.5177.4-60.8-20.1000110.8Q252 D258 S259 D260Q252-D256 PolarHBondContact NE2-OD1 2.73Å; Q252-D256 PolarHBondContact O-N 3.11Å; D256-D258 VanDerWaalsContact C-N 3.26Å; D256-D258 PolarHBondContact O-N 3.49Å; D256-S259 WeakPolarHBondContact CA-OG 3.35Å; D256-S259 PolarHBondContact O-N 3.07Å; D256-S259 PolarHBondContact O-OG 3.4Å; D256-D260 PolarHBondContact O-N 3.19Å; D256-D260 VanDerWaalsContact O-N 3.1Å
257K91.3Very high91.1Very high130 Ų13094.8 Ų94.857%0.56547%0.47SS*.Hα-helixtrans-61.1-34.3172.8-76.3171-177.7169.70112.4T253 V254 K261T253-K257 WeakPolarHBondContact O-CB 3.48Å; T253-K257 WeakPolarHBondContact O-CD 3.21Å; T253-K257 WeakPolarHBondContact O-CG 3.11Å; T253-K257 PolarHBondContact O-N 3.06Å; V254-K257 PolarHBondContact O-N 3.41Å; K257-K261 WeakPolarHBondContact O-CD 3.5Å; K257-K261 WeakPolarHBondContact O-CE 3.29Å; K257-K261 WeakPolarHBondContact O-CG 3.45Å; K257-K261 PolarHBondContact O-N 3.36Å
258D89.9Confident91.2Very high55 Ų55102.5 Ų102.529%0.29450%0.498SS..Hα-helixtrans-81.1-23.4178.4-77-8.6000112.4V254 Q255 D256 K261 K266 K277V254-D258 WeakPolarHBondContact O-CB 3.38Å; V254-D258 PolarHBondContact O-N 3.42Å; Q255-D258 CarbonylContact O-C 3.39Å; Q255-D258 PolarHBondContact O-N 3.23Å; Q255-D258 VanDerWaalsContact O-N 3.16Å; D256-D258 VanDerWaalsContact C-N 3.26Å; D256-D258 PolarHBondContact O-N 3.49Å; D258-K261 WeakPolarHBondContact OD1-CE 3.25Å; D258-K261 IonicContact OD1-NZ 3.24Å; D258-K261 PolarHBondContact OD1-NZ 3.47Å; D258-K266 WeakPolarHBondContact O-CE 3.49Å; D258-K266 PolarHBondContact O-NZ 3Å; D258-K277 IonicContact OD1-NZ 2.82Å; D258-K277 PolarHBondContact OD1-NZ 3.21Å; D258-K277 IonicContact OD2-NZ 2.96Å
259S92.6Very high91.1Very high80 Ų8099.1 Ų99.156%0.55948%0.481SS*.Hα-helixtrans-72-37.9169.852.20000112.3Q255 D256 K261Q255-S259 PolarHBondContact O-N 2.93Å; Q255-S259 PolarHBondContact O-OG 2.81Å; D256-S259 WeakPolarHBondContact CA-OG 3.35Å; D256-S259 PolarHBondContact O-N 3.07Å; D256-S259 PolarHBondContact O-OG 3.4Å; S259-K261 VanDerWaalsContact C-N 3.3Å; S259-K261 PolarHBondContact O-N 2.85Å
260D92.6Very high91Very high136 Ų136100.1 Ų100.173%0.72748%0.483SS*.Hα-helixtrans-74.4-20.4-179.3-66.3-16000113.2D256 T262D256-D260 PolarHBondContact O-N 3.19Å; D256-D260 VanDerWaalsContact O-N 3.1Å; D260-T262 PolarHBondContact O-N 2.67Å
261K90.1Very high91Very high40 Ų40103.2 Ų103.217%0.17450%0.5CS..SBendtrans-69.1122.3179.5-79.4168.5-162.1176.10111.8K257 D258 S259 T265 K266 E269K257-K261 WeakPolarHBondContact O-CD 3.5Å; K257-K261 WeakPolarHBondContact O-CE 3.29Å; K257-K261 WeakPolarHBondContact O-CG 3.45Å; K257-K261 PolarHBondContact O-N 3.36Å; D258-K261 WeakPolarHBondContact OD1-CE 3.25Å; D258-K261 IonicContact OD1-NZ 3.24Å; D258-K261 PolarHBondContact OD1-NZ 3.47Å; S259-K261 VanDerWaalsContact C-N 3.3Å; S259-K261 PolarHBondContact O-N 2.85Å; K261-T265 HydrophobicContact CB-CG2 4.33Å; K261-T265 HydrophobicContact CD-CG2 4.23Å; K261-T265 HydrophobicContact CG-CG2 3.91Å; K261-K266 HydrophobicContact CB-CG 4.04Å; K261-K266 VanDerWaalsContact O-CE 3.22Å; K261-K266 WeakPolarHBondContact O-CE 3.38Å; K261-E269 WeakPolarHBondContact CE-OE1 3.4Å; K261-E269 VanDerWaalsContact NZ-CD 3.26Å; K261-E269 IonicContact NZ-OE1 2.82Å; K261-E269 PolarHBondContact NZ-OE1 2.94Å; K261-E269 IonicContact NZ-OE2 3.59Å; K261-E269 PolarHBondContact NZ-OE2 3.39Å
262T91.8Very high90.9Very high87 Ų87105.3 Ų105.353%0.53451%0.507SS..  trans-57.8154168.670.90000112D260 K264 T265 K266D260-T262 PolarHBondContact O-N 2.67Å; T262-K264 PolarHBondContact O-N 2.84Å; T262-T265 WeakPolarHBondContact O-CA 3.47Å; T262-T265 WeakPolarHBondContact O-CB 3.45Å; T262-T265 PolarHBondContact O-N 3.42Å; T262-T265 PolarHBondContact OG1-N 3.29Å; T262-T265 PolarHBondContact OG1-OG1 3.42Å; T262-T265 VanDerWaalsContact OG1-OG1 3.07Å; T262-K266 PolarHBondContact O-N 3.1Å
263L89.5Confident90.7Very high149 Ų149105.3 Ų105.378%0.7852%0.516SS*.Hα-helixtrans-58-32.6-179.6-143.1154.6000112.1K266 M267L263-K266 PolarHBondContact O-N 3.19Å; L263-M267 PolarHBondContact O-N 3.01Å
264K92.4Very high90.4Very high181 Ų181109.4 Ų109.479%0.78753%0.528SS*.Hα-helixtrans-63.7-43.5172.1-71.1-175.3177.6178.30112.1T262 M267 R268T262-K264 PolarHBondContact O-N 2.84Å; K264-M267 PolarHBondContact O-N 3.44Å; K264-R268 PolarHBondContact O-N 3.44Å
265T89.4Confident90.1Very high55 Ų55114.8 Ų114.834%0.33756%0.56SS.*Hα-helixtrans-65-42176.1-53.10000111K261 T262 M267 R268 E269K261-T265 HydrophobicContact CB-CG2 4.33Å; K261-T265 HydrophobicContact CD-CG2 4.23Å; K261-T265 HydrophobicContact CG-CG2 3.91Å; T262-T265 WeakPolarHBondContact O-CA 3.47Å; T262-T265 WeakPolarHBondContact O-CB 3.45Å; T262-T265 PolarHBondContact O-N 3.42Å; T262-T265 PolarHBondContact OG1-N 3.29Å; T262-T265 PolarHBondContact OG1-OG1 3.42Å; T262-T265 VanDerWaalsContact OG1-OG1 3.07Å; T265-M267 PolarHBondContact O-N 2.93Å; T265-R268 PolarHBondContact O-N 3.44Å; T265-E269 PolarHBondContact O-N 3.39Å
266K90.6Very high89.5Confident97 Ų97111.7 Ų111.742%0.42256%0.562SS.*Hα-helixtrans-60.1-41.8174.9-68.6179.4175.7172.60112.3D258 K261 T262 L263 K270D258-K266 WeakPolarHBondContact O-CE 3.49Å; D258-K266 PolarHBondContact O-NZ 3Å; K261-K266 HydrophobicContact CB-CG 4.04Å; K261-K266 VanDerWaalsContact O-CE 3.22Å; K261-K266 WeakPolarHBondContact O-CE 3.38Å; T262-K266 PolarHBondContact O-N 3.1Å; L263-K266 PolarHBondContact O-N 3.19Å; K266-K270 PolarHBondContact O-N 3.39Å; K266-K270 VanDerWaalsContact O-N 3.08Å
267M89.3Confident88.9Confident106 Ų106112.6 Ų112.652%0.52256%0.563SS.*Hα-helixtrans-68.7-35.9177.3-169.161.8-174.500112.4L263 K264 T265 K270 I271L263-M267 PolarHBondContact O-N 3.01Å; K264-M267 PolarHBondContact O-N 3.44Å; T265-M267 PolarHBondContact O-N 2.93Å; M267-K270 PolarHBondContact O-N 2.85Å; M267-K270 HydrophobicContact SD-CD 4.49Å; M267-I271 PolarHBondContact O-N 2.99Å
268R91.8Very high88.5Confident190 Ų190108.8 Ų108.872%0.71755%0.55SS**Hα-helixtrans-67.7-45.5175.2-171.2-175.5-61.2-111.40.2112.1K264 T265 K270 I271 R272K264-R268 PolarHBondContact O-N 3.44Å; T265-R268 PolarHBondContact O-N 3.44Å; R268-K270 PolarHBondContact O-N 2.92Å; R268-I271 PolarHBondContact O-N 3.39Å; R268-R272 PolarHBondContact O-N 3.13Å
269E88.5Confident88.3Confident34 Ų34112.1 Ų112.116%0.15957%0.568CS.*Hα-helixtrans-63.9-28.1176.5-76-170.1-175.600112.2K261 T265 R272 P273 K277K261-E269 WeakPolarHBondContact CE-OE1 3.4Å; K261-E269 VanDerWaalsContact NZ-CD 3.26Å; K261-E269 IonicContact NZ-OE1 2.82Å; K261-E269 PolarHBondContact NZ-OE1 2.94Å; K261-E269 IonicContact NZ-OE2 3.59Å; K261-E269 PolarHBondContact NZ-OE2 3.39Å; T265-E269 PolarHBondContact O-N 3.39Å; E269-R272 CarbonylContact O-C 3.6Å; E269-P273 WeakPolarHBondContact O-CA 3.42Å; E269-K277 IonicContact OE2-NZ 3.72Å; E269-K277 PolarHBondContact OE2-NZ 2.9Å
270K90.5Very high87.9Confident163 Ų163109.5 Ų109.571%0.70955%0.547SS*.Hα-helixtrans-65.4-38.3173.8-173.6178.2-67.9-172.20112.6K266 M267 R268K266-K270 PolarHBondContact O-N 3.39Å; K266-K270 VanDerWaalsContact O-N 3.08Å; M267-K270 PolarHBondContact O-N 2.85Å; M267-K270 HydrophobicContact SD-CD 4.49Å; R268-K270 PolarHBondContact O-N 2.92Å
271I90.2Very high87.9Confident124 Ų124107.4 Ų107.464%0.63654%0.536SS*.Hα-helixtrans-81.1-34.6178.9-59170.2000110.8M267 R268M267-I271 PolarHBondContact O-N 2.99Å; R268-I271 PolarHBondContact O-N 3.39Å
272R88.4Confident87.9Confident202 Ų202114.3 Ų114.376%0.76256%0.562SS**SBendtrans-128.281.2179-64.7-174.2-178.9-176.3-0.1110.1R268 E269R268-R272 PolarHBondContact O-N 3.13Å; E269-R272 CarbonylContact O-C 3.6Å
273P88Confident88Confident93 Ų93116.6 Ų116.660%0.60457%0.567SS**  trans-69.5135.1-178.127-33.3000111E269 V275E269-P273 WeakPolarHBondContact O-CA 3.42Å; P273-V275 PolarHBondContact O-N 3.44Å
274K84.4Confident88.1Confident154 Ų154115 Ų11567%0.6755%0.554SS**  trans-84.2103.7165.3-63.7-177.3179-175.80107.6
275V85.2Confident88.1Confident138 Ų138109.1 Ų109.184%0.83653%0.53SS*.SBendtrans-69.3153.7173.3-66.80000110.3P273P273-V275 PolarHBondContact O-N 3.44Å
276G81Confident88.3Confident61 Ų61111.1 Ų111.163%0.62954%0.536SS*.  trans83.825.317800000116.4V278G276-V278 PolarHBondContact O-N 3.18Å
277K79.5Confident88.4Confident90 Ų90108.3 Ų108.339%0.39153%0.525SS..SBendtrans-62.6-29.6176.4-69.9-174.5179.1-179.10113.5V254 D258 E269V254-K277 HydrophobicContact CG1-CD 4.21Å; V254-K277 HydrophobicContact CG2-CB 4.11Å; D258-K277 IonicContact OD1-NZ 2.82Å; D258-K277 PolarHBondContact OD1-NZ 3.21Å; D258-K277 IonicContact OD2-NZ 2.96Å; E269-K277 IonicContact OE2-NZ 3.72Å; E269-K277 PolarHBondContact OE2-NZ 2.9Å
278V83.3Confident88.6Confident50 Ų50103.4 Ų103.430%0.30350%0.502SS..SBendtrans-136.996.5-179.9-1780000105.4I247 M250 V254 G276 I280I247-V278 HydrophobicContact CD1-CG1 3.85Å; M250-V278 HydrophobicContact CB-CG1 4.39Å; M250-V278 HydrophobicContact CE-CB 4.48Å; M250-V278 HydrophobicContact CE-CG1 3.55Å; V254-V278 HydrophobicContact CB-CG2 4.38Å; V254-V278 HydrophobicContact CG2-CG2 3.65Å; G276-V278 PolarHBondContact O-N 3.18Å; V278-I280 HydrophobicContact CG1-CD1 4.5Å; V278-I280 HydrophobicContact CG1-CG1 4.49Å
279D85.2Confident88.6Confident124 Ų12499.7 Ų99.766%0.66349%0.491SS*.  trans-112.3115176.8-1659.3000108.4
280I85Confident88.8Confident25 Ų25105.3 Ų105.313%0.12852%0.515CS..  trans-119.9130.3177.8-59.6177.2000106.6I247 M250 V278 Y282 L285I247-I280 HydrophobicContact CB-CD1 3.89Å; I247-I280 HydrophobicContact CD1-CD1 3.38Å; I247-I280 HydrophobicContact CG1-CD1 4.16Å; M250-I280 HydrophobicContact CE-CB 4.44Å; M250-I280 HydrophobicContact CE-CD1 3.62Å; M250-I280 HydrophobicContact CE-CG1 3.08Å; V278-I280 HydrophobicContact CG1-CD1 4.5Å; V278-I280 HydrophobicContact CG1-CG1 4.49Å; I280-Y282 PolarHBondContact O-N 3.41Å; I280-L285 HydrophobicContact CB-CD1 4.37Å; I280-L285 HydrophobicContact CB-CG 4.47Å; I280-L285 HydrophobicContact CG2-CD1 4.23Å; I280-L285 HydrophobicContact CG2-CD2 3.94Å; I280-L285 HydrophobicContact CG2-CG 3.79Å
281D91Very high88.8Confident92 Ų92104.1 Ų104.149%0.49251%0.51SS..  trans-53125.8173178.617.3000111.6H283 K284 L285D281-H283 PolarHBondContact O-N 3.43Å; D281-H283 IonicContact OD1-CD2 2.67Å; D281-H283 PolarHBondContact OD1-N 3.43Å; D281-H283 VanDerWaalsContact OD1-N 3.13Å; D281-K284 HydrophobicContact CB-CB 4.34Å; D281-K284 WeakPolarHBondContact O-CB 3.18Å; D281-K284 PolarHBondContact O-N 3.5Å; D281-L285 PolarHBondContact O-N 2.78Å
282Y91.8Very high88.9Confident185 Ų185104.4 Ų104.473%0.72550%0.504SS*.Hα-helixtrans-60.4-34-179.9-65-69.5000112I280 L285 H286I280-Y282 PolarHBondContact O-N 3.41Å; Y282-L285 PolarHBondContact O-N 3.09Å; Y282-H286 WeakPolarHBondContact O-CB 3.48Å; Y282-H286 PolarHBondContact O-N 3.46Å
283H92.6Very high89.1Confident136 Ų13699.3 Ų99.363%0.6349%0.489SS*.Hα-helixtrans-65.5-40177.5-71.4-72.7000111.9D281 L285 H286 D287D281-H283 PolarHBondContact O-N 3.43Å; D281-H283 IonicContact OD1-CD2 2.67Å; D281-H283 PolarHBondContact OD1-N 3.43Å; D281-H283 VanDerWaalsContact OD1-N 3.13Å; H283-L285 VanDerWaalsContact C-N 3.32Å; H283-L285 PolarHBondContact O-N 3.5Å; H283-H286 WeakPolarHBondContact O-CB 3.46Å; H283-H286 PolarHBondContact O-N 3.01Å; H283-D287 WeakPolarHBondContact O-CB 3.36Å; H283-D287 PolarHBondContact O-N 2.94Å
284K91.4Very high89.2Confident116 Ų11698.3 Ų98.350%0.50448%0.481SS..Hα-helixtrans-62.8-39175.3-176.4176.1-70.9-176.40112.1D281 A288D281-K284 HydrophobicContact CB-CB 4.34Å; D281-K284 WeakPolarHBondContact O-CB 3.18Å; D281-K284 PolarHBondContact O-N 3.5Å; K284-A288 WeakPolarHBondContact O-CB 3.32Å; K284-A288 PolarHBondContact O-N 3.3Å; K284-A288 VanDerWaalsContact O-N 3.08Å
285L92.2Very high89.5Confident56 Ų56100.7 Ų100.729%0.29349%0.491SS..Hα-helixtrans-67.8-44.7175.4-67.5178.2000111.2T245 I280 D281 Y282 H283 D287 A288 F289T245-L285 HydrophobicContact CG2-CD2 4.02Å; I280-L285 HydrophobicContact CB-CD1 4.37Å; I280-L285 HydrophobicContact CB-CG 4.47Å; I280-L285 HydrophobicContact CG2-CD1 4.23Å; I280-L285 HydrophobicContact CG2-CD2 3.94Å; I280-L285 HydrophobicContact CG2-CG 3.79Å; D281-L285 PolarHBondContact O-N 2.78Å; Y282-L285 PolarHBondContact O-N 3.09Å; H283-L285 VanDerWaalsContact C-N 3.32Å; H283-L285 PolarHBondContact O-N 3.5Å; L285-D287 PolarHBondContact O-N 3.19Å; L285-A288 PolarHBondContact O-N 3.46Å; L285-F289 VanDerWaalsContact O-CD2 3.29Å; L285-F289 WeakPolarHBondContact O-CD2 3.39Å; L285-F289 PolarHBondContact O-N 3.29Å
286H94Very high89.8Confident98 Ų9898.4 Ų98.445%0.45448%0.48SS..Hα-helixtrans-55.9-52.6175.9-177.5-86.9000111Y282 H283 A288 F289 F290Y282-H286 WeakPolarHBondContact O-CB 3.48Å; Y282-H286 PolarHBondContact O-N 3.46Å; H283-H286 WeakPolarHBondContact O-CB 3.46Å; H283-H286 PolarHBondContact O-N 3.01Å; H286-A288 VanDerWaalsContact C-N 3.28Å; H286-A288 PolarHBondContact O-N 3.22Å; H286-F289 PolarHBondContact O-N 3.45Å; H286-F289 VanDerWaalsContact O-N 3.11Å; H286-F290 AromaticContact CD2-CD2 3.53Å; H286-F290 AromaticContact CD2-CE2 3.63Å; H286-F290 AromaticContact CE1-CD2 3.73Å; H286-F290 AromaticContact CG-CD2 3.88Å; H286-F290 AromaticContact ND1-CD2 4Å; H286-F290 AromaticContact NE2-CD2 3.44Å; H286-F290 WeakPolarHBondContact NE2-CD2 3.26Å; H286-F290 AromaticContact NE2-CE2 3.67Å; H286-F290 VanDerWaalsContact O-CD2 3.29Å; H286-F290 WeakPolarHBondContact O-CD2 3.35Å; H286-F290 PolarHBondContact O-N 3.46Å
287D93.8Very high90.2Very high37 Ų37104 Ų10420%0.19849%0.487CS..Hα-helixtrans-64.5-31.7-178.7-76.14.7000112.6H283 L285 F289 K291 Y292H283-D287 WeakPolarHBondContact O-CB 3.36Å; H283-D287 PolarHBondContact O-N 2.94Å; L285-D287 PolarHBondContact O-N 3.19Å; D287-F289 PolarHBondContact O-N 3.43Å; D287-K291 HydrophobicContact CB-CD 4.1Å; D287-K291 HydrophobicContact CB-CG 4.39Å; D287-K291 WeakPolarHBondContact O-CA 3.49Å; D287-K291 WeakPolarHBondContact O-CB 3.39Å; D287-K291 PolarHBondContact O-N 3.31Å; D287-K291 VanDerWaalsContact OD1-CE 3.22Å; D287-K291 WeakPolarHBondContact OD1-CE 3.23Å; D287-K291 IonicContact OD1-NZ 3.96Å; D287-K291 PolarHBondContact OD1-NZ 3.11Å; D287-K291 IonicContact OD2-NZ 3.6Å; D287-K291 PolarHBondContact OD2-NZ 3.18Å; D287-Y292 HydrophobicContact CB-CD2 4.39Å; D287-Y292 HydrophobicContact CB-CE2 4.14Å; D287-Y292 WeakPolarHBondContact O-CD2 3.47Å; D287-Y292 PolarHBondContact O-N 3.24Å
288A92.5Very high90.7Very high4 Ų4107.2 Ų107.23%0.03351%0.507CS..Hα-helixtrans-64.5-36.6174.600000113.4F241 T245 K284 L285 H286F241-A288 WeakPolarHBondContact CD2-O 3.38Å; T245-A288 HydrophobicContact CG2-CB 3.55Å; K284-A288 WeakPolarHBondContact O-CB 3.32Å; K284-A288 PolarHBondContact O-N 3.3Å; K284-A288 VanDerWaalsContact O-N 3.08Å; L285-A288 PolarHBondContact O-N 3.46Å; H286-A288 VanDerWaalsContact C-N 3.28Å; H286-A288 PolarHBondContact O-N 3.22Å
289F92.9Very high91.1Very high111 Ų111108.1 Ų108.149%0.48752%0.516SS..Hα-helixtrans-89.5-26.6-179.1-78.5-77.3000114.1I242 L285 H286 D287 Q293I242-F289 HydrophobicContact CD1-CE1 4.31Å; I242-F289 HydrophobicContact CD1-CZ 4.33Å; L285-F289 VanDerWaalsContact O-CD2 3.29Å; L285-F289 WeakPolarHBondContact O-CD2 3.39Å; L285-F289 PolarHBondContact O-N 3.29Å; H286-F289 PolarHBondContact O-N 3.45Å; H286-F289 VanDerWaalsContact O-N 3.11Å; D287-F289 PolarHBondContact O-N 3.43Å; F289-Q293 WeakPolarHBondContact O-CB 3.3Å
290F91.4Very high91.4Very high152 Ų152109 Ų10967%0.66752%0.519SS*.Hα-helixtrans-104.3-46.8-177-69.5-79.7000113H286H286-F290 AromaticContact CD2-CD2 3.53Å; H286-F290 AromaticContact CD2-CE2 3.63Å; H286-F290 AromaticContact CE1-CD2 3.73Å; H286-F290 AromaticContact CG-CD2 3.88Å; H286-F290 AromaticContact ND1-CD2 4Å; H286-F290 AromaticContact NE2-CD2 3.44Å; H286-F290 WeakPolarHBondContact NE2-CD2 3.26Å; H286-F290 AromaticContact NE2-CE2 3.67Å; H286-F290 VanDerWaalsContact O-CD2 3.29Å; H286-F290 WeakPolarHBondContact O-CD2 3.35Å; H286-F290 PolarHBondContact O-N 3.46Å
291K90.5Very high91.8Very high138 Ų138113.9 Ų113.960%0.654%0.541SS*.THydrogen-bonded Turntrans-86.3-45.4-177.2-60.2-175.2-174.8163.50112.7D287D287-K291 HydrophobicContact CB-CD 4.1Å; D287-K291 HydrophobicContact CB-CG 4.39Å; D287-K291 WeakPolarHBondContact O-CA 3.49Å; D287-K291 WeakPolarHBondContact O-CB 3.39Å; D287-K291 PolarHBondContact O-N 3.31Å; D287-K291 VanDerWaalsContact OD1-CE 3.22Å; D287-K291 WeakPolarHBondContact OD1-CE 3.23Å; D287-K291 IonicContact OD1-NZ 3.96Å; D287-K291 PolarHBondContact OD1-NZ 3.11Å; D287-K291 IonicContact OD2-NZ 3.6Å; D287-K291 PolarHBondContact OD2-NZ 3.18Å
292Y92.3Very high91.8Very high130 Ų130111.3 Ų111.351%0.5154%0.536SS..SBendtrans-99.712.2-171.3-56.3-58.1000114.7F241 D287 T294F241-Y292 WeakPolarHBondContact CB-O 3.29Å; D287-Y292 HydrophobicContact CB-CD2 4.39Å; D287-Y292 HydrophobicContact CB-CE2 4.14Å; D287-Y292 WeakPolarHBondContact O-CD2 3.47Å; D287-Y292 PolarHBondContact O-N 3.24Å; Y292-T294 PolarHBondContact O-N 2.91Å
293Q92.4Very high91.8Very high95 Ų95105.9 Ų105.944%0.44452%0.52SS..PPolyproline II helixtrans-65.5118.3-178.7-179.963.548.900111.1F289F289-Q293 WeakPolarHBondContact O-CB 3.3Å
294T90.4Very high91.8Very high72 Ų72102.6 Ų102.644%0.44251%0.506SS..PPolyproline II helixtrans-100.8141.5176.561.30000111.6F241 Y292F241-T294 HydrophobicContact CD1-CG2 4.45Å; F241-T294 VanDerWaalsContact CD1-OG1 3.28Å; F241-T294 WeakPolarHBondContact CD1-OG1 3.24Å; F241-T294 WeakPolarHBondContact CE1-OG1 3.47Å; Y292-T294 PolarHBondContact O-N 2.91Å
295K91.9Very high91.9Very high204 Ų204102.1 Ų102.189%0.88750%0.502SS*.PPolyproline II helixtrans-70.1125.4176.6-69.5178.7-178.9171.60109.6
296P91.5Very high91.9Very high91 Ų91103.3 Ų103.359%0.59150%0.503SS*.PPolyproline II helixtrans-69.8160.7178.429.2-34.7000111.7L298P296-L298 HydrophobicContact CG-CD2 4.06Å; P296-L298 PolarHBondContact O-N 3Å
297K88.8Confident91.7Very high179 Ų179102 Ų10278%0.77850%0.497SS*.  trans-68.1101.7171.5-67-173.9179.6-175.90109.5
298L90.7Very high91.3Very high156 Ų156101.2 Ų101.282%0.81750%0.499SS*.  trans-82.1164.3178.2-60.9177.2000111.9P296P296-L298 HydrophobicContact CG-CD2 4.06Å; P296-L298 PolarHBondContact O-N 3Å
299S90.4Very high91.2Very high70 Ų70103.2 Ų103.249%0.4951%0.507SS..  trans-109.6145.1174.8173.40000108.9D303S299-D303 VanDerWaalsContact OG-CB 3.24Å; S299-D303 WeakPolarHBondContact OG-CB 3.24Å; S299-D303 VanDerWaalsContact OG-CG 3.28Å; S299-D303 PolarHBondContact OG-OD2 3.21Å
300I92.7Very high90.9Very high141 Ų141102.5 Ų102.572%0.72351%0.505SS*.  trans-79.5160.5-179.760.5169.7000111.4G302 D303I300-G302 PolarHBondContact O-N 3Å; I300-D303 HydrophobicContact CG1-CB 4.04Å; I300-D303 WeakPolarHBondContact O-CB 3.21Å; I300-D303 PolarHBondContact O-N 3.32Å; I300-D303 VanDerWaalsContact O-N 3.17Å
301H93.2Very high90.5Very high128 Ų128100.4 Ų100.459%0.59350%0.496SS*.THydrogen-bonded Turntrans-55.5135.2167.4143-92.6000109.9N210N210-H301 PolarHBondContact O-CE1 3Å; N210-H301 PolarHBondContact O-NE2 3.17Å; N210-H301 VanDerWaalsContact O-NE2 3.09Å
302G91.3Very high90.3Very high39 Ų3999.7 Ų99.740%0.40249%0.494SS..THydrogen-bonded Turntrans93.7-14.7-177.100000115I300 L304I300-G302 PolarHBondContact O-N 3Å; G302-L304 PolarHBondContact O-N 2.88Å; G302-L304 VanDerWaalsContact O-N 3.11Å
303D91.7Very high89.7Confident70 Ų7098.5 Ų98.537%0.37450%0.501SS..  trans-85.982.2177.9179.732.4000112S299 I300 K309S299-D303 VanDerWaalsContact OG-CB 3.24Å; S299-D303 WeakPolarHBondContact OG-CB 3.24Å; S299-D303 VanDerWaalsContact OG-CG 3.28Å; S299-D303 PolarHBondContact OG-OD2 3.21Å; I300-D303 HydrophobicContact CG1-CB 4.04Å; I300-D303 WeakPolarHBondContact O-CB 3.21Å; I300-D303 PolarHBondContact O-N 3.32Å; I300-D303 VanDerWaalsContact O-N 3.17Å; D303-K309 PolarHBondContact O-NZ 2.74Å; D303-K309 WeakPolarHBondContact OD1-CE 3.36Å; D303-K309 IonicContact OD1-NZ 3.68Å; D303-K309 PolarHBondContact OD1-NZ 2.99Å; D303-K309 WeakPolarHBondContact OD2-CE 3.35Å; D303-K309 IonicContact OD2-NZ 3.94Å; D303-K309 PolarHBondContact OD2-NZ 2.99Å
304L92.1Very high88.9Confident67 Ų67101.3 Ų101.335%0.35151%0.511SS..  trans-70.1150.1-179.7-67.5176.7000113V212 P213 P215 G302 K309V212-L304 HydrophobicContact CG1-CD1 3.59Å; V212-L304 HydrophobicContact CG1-CD2 3.87Å; V212-L304 HydrophobicContact CG1-CG 3.67Å; P213-L304 VanDerWaalsContact O-CD1 3.28Å; P213-L304 WeakPolarHBondContact O-CD1 3.46Å; P215-L304 HydrophobicContact CG-CD1 4.12Å; G302-L304 PolarHBondContact O-N 2.88Å; G302-L304 VanDerWaalsContact O-N 3.11Å; L304-K309 WeakPolarHBondContact O-CD 3.39Å; L304-K309 PolarHBondContact O-NZ 3.3Å
305Y93.5Very high88.3Confident106 Ų106104.2 Ų104.242%0.41652%0.524SS..  trans-80.1137.5169.9-176.4-109.4000111.1Y224 L225 K309 E310Y224-Y305 HydrophobicContact CE1-CD1 4.31Å; Y224-Y305 HydrophobicContact CE1-CE1 4.5Å; Y224-Y305 VanDerWaalsContact OH-C 3.25Å; Y224-Y305 WeakPolarHBondContact OH-CD1 3.05Å; Y224-Y305 PolarHBondContact OH-O 3.08Å; L225-Y305 HydrophobicContact CD2-CE1 4.14Å; Y305-K309 HydrophobicContact CD2-CB 4.12Å; Y305-K309 HydrophobicContact CD2-CD 4.02Å; Y305-K309 HydrophobicContact CE2-CB 4.13Å; Y305-E310 WeakPolarHBondContact CE2-OE2 3.31Å; Y305-E310 PolarHBondContact OH-OE1 3Å; Y305-E310 PolarHBondContact OH-OE2 3.32Å
306Y91.5Very high87.6Confident81 Ų81104 Ų10432%0.31852%0.522SS..  trans-137.7156.3170.251.5-88.5000109.7G308 K309 E312Y306-G308 PolarHBondContact O-N 3.03Å; Y306-G308 VanDerWaalsContact O-N 3.1Å; Y306-K309 HydrophobicContact CD1-CB 4.22Å; Y306-K309 HydrophobicContact CD1-CD 4.28Å; Y306-K309 HydrophobicContact CD2-CB 3.97Å; Y306-K309 HydrophobicContact CE1-CB 4.08Å; Y306-K309 HydrophobicContact CE1-CD 4.04Å; Y306-K309 HydrophobicContact CE1-CG 4.07Å; Y306-K309 HydrophobicContact CE2-CB 3.82Å; Y306-K309 HydrophobicContact CE2-CG 4.47Å; Y306-K309 HydrophobicContact CG-CB 4.17Å; Y306-K309 VanDerWaalsContact O-CB 3.26Å; Y306-K309 WeakPolarHBondContact O-CB 3.33Å; Y306-K309 PolarHBondContact O-N 3.16Å; Y306-E312 PolarHBondContact OH-OE2 2.79Å
307E89.3Confident86.8Confident70 Ų70106.9 Ų106.933%0.32753%0.528SS..THydrogen-bonded Turntrans-58116.8175.7-175.1173.4-146.700110G227 K228G227-E307 WeakPolarHBondContact CA-OE1 3.46Å; G227-E307 PolarHBondContact N-OE1 3.44Å; K228-E307 HydrophobicContact CD-CG 4.44Å; K228-E307 HydrophobicContact CG-CG 4.21Å; K228-E307 PolarHBondContact N-OE1 3.48Å
308G86.9Confident86.7Confident22 Ų22106 Ų10623%0.22752%0.524CS..THydrogen-bonded Turntrans100.5-3.7-178.900000114.9Y306 E310 F311Y306-G308 PolarHBondContact O-N 3.03Å; Y306-G308 VanDerWaalsContact O-N 3.1Å; G308-E310 PolarHBondContact O-N 3.42Å; G308-F311 PolarHBondContact O-N 2.62Å
309K90Very high86.6Confident46 Ų46105.9 Ų105.920%0.252%0.517CS..G310 helixtrans-56.4-35.6176.6-178.2174176.5-179.60113D303 L304 Y305 Y306 F311 E312D303-K309 PolarHBondContact O-NZ 2.74Å; D303-K309 WeakPolarHBondContact OD1-CE 3.36Å; D303-K309 IonicContact OD1-NZ 3.68Å; D303-K309 PolarHBondContact OD1-NZ 2.99Å; D303-K309 WeakPolarHBondContact OD2-CE 3.35Å; D303-K309 IonicContact OD2-NZ 3.94Å; D303-K309 PolarHBondContact OD2-NZ 2.99Å; L304-K309 WeakPolarHBondContact O-CD 3.39Å; L304-K309 PolarHBondContact O-NZ 3.3Å; Y305-K309 HydrophobicContact CD2-CB 4.12Å; Y305-K309 HydrophobicContact CD2-CD 4.02Å; Y305-K309 HydrophobicContact CE2-CB 4.13Å; Y306-K309 HydrophobicContact CD1-CB 4.22Å; Y306-K309 HydrophobicContact CD1-CD 4.28Å; Y306-K309 HydrophobicContact CD2-CB 3.97Å; Y306-K309 HydrophobicContact CE1-CB 4.08Å; Y306-K309 HydrophobicContact CE1-CD 4.04Å; Y306-K309 HydrophobicContact CE1-CG 4.07Å; Y306-K309 HydrophobicContact CE2-CB 3.82Å; Y306-K309 HydrophobicContact CE2-CG 4.47Å; Y306-K309 HydrophobicContact CG-CB 4.17Å; Y306-K309 VanDerWaalsContact O-CB 3.26Å; Y306-K309 WeakPolarHBondContact O-CB 3.33Å; Y306-K309 PolarHBondContact O-N 3.16Å; K309-F311 PolarHBondContact O-N 3.1Å; K309-E312 PolarHBondContact O-N 2.88Å
310E85.6Confident86.4Confident96 Ų96105.7 Ų105.745%0.44951%0.514SS..G310 helixtrans-70.9-14.917964.6-93.3-143.600114.5K228 Y305 G308K228-E310 WeakPolarHBondContact CE-OE1 3.44Å; K228-E310 IonicContact NZ-OE1 2.95Å; K228-E310 PolarHBondContact NZ-OE1 3.09Å; K228-E310 IonicContact NZ-OE2 2.68Å; Y305-E310 WeakPolarHBondContact CE2-OE2 3.31Å; Y305-E310 PolarHBondContact OH-OE1 3Å; Y305-E310 PolarHBondContact OH-OE2 3.32Å; G308-E310 PolarHBondContact O-N 3.42Å
311F84.2Confident86.1Confident107 Ų107101.8 Ų101.847%0.46951%0.509SS..G310 helixtrans-94.3-6.2177.9-56.7-48.6000112.9F231 G308 K309 V313F231-F311 HydrophobicContact CD1-CE1 4.49Å; F231-F311 AromaticContact CD1-CZ 3.82Å; F231-F311 HydrophobicContact CD1-CZ 3.82Å; F231-F311 HydrophobicContact CD2-CE1 4.21Å; F231-F311 HydrophobicContact CD2-CE2 4.46Å; F231-F311 AromaticContact CD2-CZ 3.6Å; F231-F311 HydrophobicContact CD2-CZ 3.6Å; F231-F311 AromaticContact CE1-CE1 3.81Å; F231-F311 HydrophobicContact CE1-CE1 3.81Å; F231-F311 AromaticContact CE1-CZ 3.59Å; F231-F311 HydrophobicContact CE1-CZ 3.59Å; F231-F311 AromaticContact CE2-CE1 3.49Å; F231-F311 HydrophobicContact CE2-CE1 3.49Å; F231-F311 VanDerWaalsContact CE2-CE1 3.49Å; F231-F311 HydrophobicContact CE2-CE2 4.49Å; F231-F311 AromaticContact CE2-CZ 3.36Å; F231-F311 HydrophobicContact CE2-CZ 3.36Å; F231-F311 AromaticContact CG-CZ 3.84Å; F231-F311 HydrophobicContact CG-CZ 3.84Å; F231-F311 AromaticContact CZ-CE1 3.27Å; F231-F311 HydrophobicContact CZ-CE1 3.27Å; F231-F311 AromaticContact CZ-CZ 3.37Å; F231-F311 HydrophobicContact CZ-CZ 3.37Å; G308-F311 PolarHBondContact O-N 2.62Å; K309-F311 PolarHBondContact O-N 3.1Å; F311-V313 PolarHBondContact O-N 3.32Å
312E85.4Confident85.7Confident123 Ų123102.2 Ų102.258%0.57552%0.516SS*.SBendtrans-77.5116.8179.9-165.1167.5162.400110.2Y306 K309 K314Y306-E312 PolarHBondContact OH-OE2 2.79Å; K309-E312 PolarHBondContact O-N 2.88Å; E312-K314 PolarHBondContact O-N 3.03Å
313V79.9Confident85.5Confident106 Ų106101.8 Ų101.864%0.64250%0.504SS*.  trans-71.7122.3-178.8-179.40000109.5F311 L315F311-V313 PolarHBondContact O-N 3.32Å; V313-L315 PolarHBondContact O-N 2.9Å
314K76.4Confident85.4Confident153 Ų153101.7 Ų101.767%0.66551%0.508SS*.  trans-74.1113.6175.2-66.2-179.2-179.4179.30110E312 K316E312-K314 PolarHBondContact O-N 3.03Å; K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 3.4Å
315L76.9Confident85.3Confident134 Ų134102.7 Ų102.770%0.70251%0.514SS*.G310 helixtrans-77.1-13.2-178.6-68.7162.4000114.3V313 E317 K318V313-L315 PolarHBondContact O-N 2.9Å; L315-E317 PolarHBondContact O-N 3.43Å; L315-E317 VanDerWaalsContact O-N 3.14Å; L315-K318 PolarHBondContact O-N 3.43Å
316K77.2Confident85.3Confident198 Ų198105.3 Ų105.386%0.86153%0.53SS*.G310 helixtrans-60.5-27.8-170.8-68.6-171175.5-171.30114.7K314 K318K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 3.4Å; K316-K318 VanDerWaalsContact C-N 3.31Å; K316-K318 PolarHBondContact O-N 2.88Å
317E76Confident85.2Confident152 Ų152105.2 Ų105.271%0.7154%0.535SS*.G310 helixtrans-80-12.8-175-64175.6-176.400112.7L315L315-E317 PolarHBondContact O-N 3.43Å; L315-E317 VanDerWaalsContact O-N 3.14Å
318K86.2Confident85.3Confident160 Ų160103.1 Ų103.170%0.69652%0.524SS*.  trans-103.7112.6-175.2-59.5-177.6-178.3-173.60110.5L315 K316L315-K318 PolarHBondContact O-N 3.43Å; K316-K318 VanDerWaalsContact C-N 3.31Å; K316-K318 PolarHBondContact O-N 2.88Å
319K87.6Confident85.5Confident154 Ų154106.8 Ų106.867%0.6754%0.538SS*.  trans-109.2144.7177.6-65.9-174.8179.5-177.20111.3N322K319-N322 PolarHBondContact O-N 2.96Å
320P87.7Confident85.6Confident66 Ų66108.7 Ų108.743%0.42956%0.562SS.*THydrogen-bonded Turntrans-61.5143.9173.627.9-34.8000110.8Y359 L362P320-Y359 HydrophobicContact CB-CE2 4.31Å; P320-Y359 HydrophobicContact CG-CD1 4.27Å; P320-Y359 HydrophobicContact CG-CE1 3.92Å; P320-Y359 HydrophobicContact CG-CE2 4.44Å; P320-L362 HydrophobicContact CB-CD1 4.49Å; P320-L362 HydrophobicContact CB-CD2 4.48Å
321G85.1Confident85.8Confident60 Ų60107.9 Ų107.962%0.61956%0.561SS**THydrogen-bonded Turntrans96.8-31.3-175.200000113.8
322N86.1Confident86Confident136 Ų136106 Ų10673%0.72757%0.572SS**  trans-101.4134.1179.5-66.3-1.8000110.9K319K319-N322 PolarHBondContact O-N 2.96Å
323M86Confident86.1Confident31 Ų31101.4 Ų101.415%0.15355%0.551CS.*  trans-121.9126.5176-60.9-174.2-60.300109.5L327 R328 L331 L333 P344 W346M323-L327 HydrophobicContact CB-CD2 4.44Å; M323-L327 HydrophobicContact CG-CD2 4.49Å; M323-R328 HydrophobicContact CB-CG 3.98Å; M323-R328 HydrophobicContact CE-CG 4.25Å; M323-R328 PolarHBondContact O-NE 2.65Å; M323-R328 VanDerWaalsContact O-NE 3.12Å; M323-L331 HydrophobicContact SD-CD1 4.21Å; M323-L333 HydrophobicContact CE-CD1 3.72Å; M323-L333 HydrophobicContact SD-CD1 4.41Å; M323-P344 HydrophobicContact CE-CB 4.31Å; M323-P344 HydrophobicContact SD-CB 4.46Å; M323-W346 HydrophobicContact SD-CH2 3.65Å; M323-W346 HydrophobicContact SD-CZ2 3.95Å
324S90.3Very high86.4Confident67 Ų6799.2 Ų99.247%0.46954%0.539SS..  trans-63.4150.217450.70000111.5E326 L327 R328S324-E326 VanDerWaalsContact C-N 3.26Å; S324-E326 PolarHBondContact O-N 3.22Å; S324-L327 WeakPolarHBondContact O-CA 3.32Å; S324-L327 WeakPolarHBondContact O-CB 3.33Å; S324-L327 PolarHBondContact O-N 3.15Å; S324-L327 WeakPolarHBondContact OG-CB 3.41Å; S324-R328 PolarHBondContact O-N 3.12Å
325D90.6Very high86.8Confident88 Ų8894.4 Ų94.447%0.47153%0.525SS..Hα-helixtrans-58.3-37.6179.2-68.6-38.5000112.9L327 R328 N329 G336D325-L327 VanDerWaalsContact C-N 3.31Å; D325-L327 PolarHBondContact O-N 3.45Å; D325-R328 PolarHBondContact O-N 3.34Å; D325-N329 WeakPolarHBondContact O-CB 3.29Å; D325-N329 PolarHBondContact O-N 3.3Å; D325-N329 PolarHBondContact O-ND2 3.19Å; D325-G336 PolarHBondContact OD1-N 3.46Å
326E91.6Very high87Confident162 Ų16289.9 Ų89.976%0.75751%0.51SS*.Hα-helixtrans-57.5-43.9173.4-175.7-177.9-171.400111.9S324 N329 A330S324-E326 VanDerWaalsContact C-N 3.26Å; S324-E326 PolarHBondContact O-N 3.22Å; E326-N329 PolarHBondContact O-N 3.36Å; E326-A330 WeakPolarHBondContact O-CB 3.44Å; E326-A330 PolarHBondContact O-N 3.21Å
327L90.7Very high87Confident79 Ų7987.3 Ų87.341%0.41452%0.517SS..Hα-helixtrans-71-37.7179.1-179.761.5000111.3M323 S324 D325 A330 L331M323-L327 HydrophobicContact CB-CD2 4.44Å; M323-L327 HydrophobicContact CG-CD2 4.49Å; S324-L327 WeakPolarHBondContact O-CA 3.32Å; S324-L327 WeakPolarHBondContact O-CB 3.33Å; S324-L327 PolarHBondContact O-N 3.15Å; S324-L327 WeakPolarHBondContact OG-CB 3.41Å; D325-L327 VanDerWaalsContact C-N 3.31Å; D325-L327 PolarHBondContact O-N 3.45Å; L327-A330 PolarHBondContact O-N 3.17Å; L327-L331 HydrophobicContact CD1-CD1 4.16Å; L327-L331 HydrophobicContact CD1-CG 4.21Å; L327-L331 HydrophobicContact CG-CD1 3.96Å; L327-L331 HydrophobicContact CG-CG 4.44Å; L327-L331 WeakPolarHBondContact O-CB 3.49Å; L327-L331 VanDerWaalsContact O-CG 3.25Å; L327-L331 WeakPolarHBondContact O-CG 3.44Å; L327-L331 PolarHBondContact O-N 3.38Å
328R90.5Very high87Confident26 Ų2681.7 Ų81.710%0.09850%0.5CS..Hα-helixtrans-61.5-46.5175.4-70.4176.5178.3-88.65.1110.9M323 S324 D325 A330 L331 G332 L333 A339M323-R328 HydrophobicContact CB-CG 3.98Å; M323-R328 HydrophobicContact CE-CG 4.25Å; M323-R328 PolarHBondContact O-NE 2.65Å; M323-R328 VanDerWaalsContact O-NE 3.12Å; S324-R328 PolarHBondContact O-N 3.12Å; D325-R328 PolarHBondContact O-N 3.34Å; R328-A330 PolarHBondContact O-N 2.95Å; R328-L331 CarbonylContact O-C 3.31Å; R328-L331 PolarHBondContact O-N 3.33Å; R328-L331 VanDerWaalsContact O-N 3.16Å; R328-G332 PolarHBondContact O-N 3.16Å; R328-G332 VanDerWaalsContact O-N 3.09Å; R328-L333 CarbonylContact C-O 3.56Å; R328-L333 HydrophobicContact CB-CB 4.18Å; R328-L333 PolarHBondContact O-N 3.24Å; R328-A339 PolarHBondContact NH1-O 3.44Å
329N91.6Very high86.7Confident98 Ų9874.5 Ų74.552%0.52447%0.47SS..Hα-helixtrans-61.1-43175.8-71.7-22.9000112D325 E326 L331 G332 S335D325-N329 WeakPolarHBondContact O-CB 3.29Å; D325-N329 PolarHBondContact O-N 3.3Å; D325-N329 PolarHBondContact O-ND2 3.19Å; E326-N329 PolarHBondContact O-N 3.36Å; N329-L331 VanDerWaalsContact C-N 3.29Å; N329-L331 PolarHBondContact O-N 2.82Å; N329-G332 PolarHBondContact O-N 2.68Å; N329-G332 VanDerWaalsContact O-N 3.1Å; N329-S335 VanDerWaalsContact OD1-CB 3.31Å; N329-S335 WeakPolarHBondContact OD1-CB 3.5Å; N329-S335 PolarHBondContact OD1-OG 3.02Å
330A92.7Very high86.2Confident86 Ų8674 Ų7471%0.71147%0.47SS*.Hα-helixtrans-63.2-34.417600000113.1E326 L327 R328 G332E326-A330 WeakPolarHBondContact O-CB 3.44Å; E326-A330 PolarHBondContact O-N 3.21Å; L327-A330 PolarHBondContact O-N 3.17Å; R328-A330 PolarHBondContact O-N 2.95Å; A330-G332 VanDerWaalsContact C-N 3.27Å
331L89Confident85.8Confident79 Ų7977.6 Ų77.641%0.41448%0.475SS..THydrogen-bonded Turntrans-80.7-4.3175.9-69.2172000113.5M323 L327 R328 N329 L333 W346M323-L331 HydrophobicContact SD-CD1 4.21Å; L327-L331 HydrophobicContact CD1-CD1 4.16Å; L327-L331 HydrophobicContact CD1-CG 4.21Å; L327-L331 HydrophobicContact CG-CD1 3.96Å; L327-L331 HydrophobicContact CG-CG 4.44Å; L327-L331 WeakPolarHBondContact O-CB 3.49Å; L327-L331 VanDerWaalsContact O-CG 3.25Å; L327-L331 WeakPolarHBondContact O-CG 3.44Å; L327-L331 PolarHBondContact O-N 3.38Å; R328-L331 CarbonylContact O-C 3.31Å; R328-L331 PolarHBondContact O-N 3.33Å; R328-L331 VanDerWaalsContact O-N 3.16Å; N329-L331 VanDerWaalsContact C-N 3.29Å; N329-L331 PolarHBondContact O-N 2.82Å; L331-L333 VanDerWaalsContact C-N 3.26Å; L331-L333 HydrophobicContact CB-CD1 4.18Å; L331-L333 HydrophobicContact CB-CG 4.12Å; L331-L333 HydrophobicContact CD1-CD1 4.23Å; L331-L333 PolarHBondContact O-N 2.84Å; L331-W346 HydrophobicContact CD1-CH2 4.29Å; L331-W346 HydrophobicContact CD1-CZ3 4.29Å
332G88.4Confident85.9Confident68 Ų6879.5 Ų79.570%0.70146%0.464SS*.THydrogen-bonded Turntrans70.621.5-173.800000113.8R328 N329 A330R328-G332 PolarHBondContact O-N 3.16Å; R328-G332 VanDerWaalsContact O-N 3.09Å; N329-G332 PolarHBondContact O-N 2.68Å; N329-G332 VanDerWaalsContact O-N 3.1Å; A330-G332 VanDerWaalsContact C-N 3.27Å
333L87.7Confident86Confident27 Ų2773.9 Ų73.914%0.14144%0.435CS..PPolyproline II helixtrans-91.3143173.6-64.1173.7000110.1M323 R328 L331 S335M323-L333 HydrophobicContact CE-CD1 3.72Å; M323-L333 HydrophobicContact SD-CD1 4.41Å; R328-L333 CarbonylContact C-O 3.56Å; R328-L333 HydrophobicContact CB-CB 4.18Å; R328-L333 PolarHBondContact O-N 3.24Å; L331-L333 VanDerWaalsContact C-N 3.26Å; L331-L333 HydrophobicContact CB-CD1 4.18Å; L331-L333 HydrophobicContact CB-CG 4.12Å; L331-L333 HydrophobicContact CD1-CD1 4.23Å; L331-L333 PolarHBondContact O-N 2.84Å; L333-S335 PolarHBondContact O-N 3.22Å
334P86.4Confident86.2Confident59 Ų5973.7 Ų73.738%0.38344%0.437SS..PPolyproline II helixtrans-57.9128173.6-25.936.4000112.4A339 Y342P334-A339 WeakPolarHBondContact O-CB 3.47Å; P334-Y342 HydrophobicContact CB-CD2 3.87Å; P334-Y342 HydrophobicContact CB-CE2 3.99Å; P334-Y342 HydrophobicContact CB-CG 4.42Å; P334-Y342 HydrophobicContact CG-CD1 4.01Å; P334-Y342 HydrophobicContact CG-CD2 3.66Å; P334-Y342 HydrophobicContact CG-CE1 4.1Å; P334-Y342 HydrophobicContact CG-CE2 3.74Å; P334-Y342 HydrophobicContact CG-CG 3.8Å
335S84.1Confident86.2Confident53 Ų5374.7 Ų74.737%0.37144%0.441SS..PPolyproline II helixtrans-97.6156.217464.10000112.1N329 L333N329-S335 VanDerWaalsContact OD1-CB 3.31Å; N329-S335 WeakPolarHBondContact OD1-CB 3.5Å; N329-S335 PolarHBondContact OD1-OG 3.02Å; L333-S335 PolarHBondContact O-N 3.22Å
336G80.8Confident86.2Confident38 Ų3875.8 Ų75.839%0.39244%0.439SS..SBendtrans111.1-160.7174.300000115.4D325 G338 A339D325-G336 PolarHBondContact OD1-N 3.46Å; G336-G338 PolarHBondContact O-N 2.98Å; G336-A339 VanDerWaalsContact O-CB 3.28Å; G336-A339 WeakPolarHBondContact O-CB 3.29Å; G336-A339 PolarHBondContact O-N 3.43Å
337S77Confident86.2Confident145 Ų14568.2 Ų68.2100%1.01440%0.404SS*.THydrogen-bonded Turntrans-70.324.1-170.465.10000116
338G77.7Confident86.1Confident33 Ų3367.5 Ų67.534%0.3440%0.4SS..THydrogen-bonded Turntrans-155.716174.900000112G336 E340 R341G336-G338 PolarHBondContact O-N 2.98Å; G338-E340 PolarHBondContact O-N 3.17Å; G338-R341 WeakPolarHBondContact O-CB 3.35Å; G338-R341 WeakPolarHBondContact O-CG 3.45Å; G338-R341 PolarHBondContact O-N 3.34Å
339A78.4Confident86.1Confident9 Ų968.4 Ų68.47%0.07441%0.412CS..G310 helixtrans-62.4-23-177.400000113R328 P334 G336 R341R328-A339 PolarHBondContact NH1-O 3.44Å; P334-A339 WeakPolarHBondContact O-CB 3.47Å; G336-A339 VanDerWaalsContact O-CB 3.28Å; G336-A339 WeakPolarHBondContact O-CB 3.29Å; G336-A339 PolarHBondContact O-N 3.43Å; A339-R341 PolarHBondContact O-N 2.94Å
340E78Confident86.1Confident143 Ų14365.5 Ų65.567%0.66840%0.396SS*.G310 helixtrans-67.4-22.4174.6-67.9-179.5-179.700112.9G338 Y342 W384G338-E340 PolarHBondContact O-N 3.17Å; E340-Y342 PolarHBondContact O-N 2.87Å; E340-W384 WeakPolarHBondContact O-CZ2 3.41Å
341R80.3Confident86Confident143 Ų14362.1 Ų62.154%0.5437%0.366SS..G310 helixtrans-69.3-23.9-178.5-62.8-170.1-179.8-173.30.6113.7G338 A339 C375 W384G338-R341 WeakPolarHBondContact O-CB 3.35Å; G338-R341 WeakPolarHBondContact O-CG 3.45Å; G338-R341 PolarHBondContact O-N 3.34Å; A339-R341 PolarHBondContact O-N 2.94Å; R341-C375 WeakPolarHBondContact CA-SG 3.37Å; R341-C375 VanDerWaalsContact CB-SG 3.54Å; R341-W384 PolarHBondContact O-NE1 3.03Å
342Y85.5Confident85.9Confident99 Ų9966.6 Ų66.639%0.38838%0.377SS..SBendtrans-103.4111.8-176.9-66.3-89.6000109.3P334 E340P334-Y342 HydrophobicContact CB-CD2 3.87Å; P334-Y342 HydrophobicContact CB-CE2 3.99Å; P334-Y342 HydrophobicContact CB-CG 4.42Å; P334-Y342 HydrophobicContact CG-CD1 4.01Å; P334-Y342 HydrophobicContact CG-CD2 3.66Å; P334-Y342 HydrophobicContact CG-CE1 4.1Å; P334-Y342 HydrophobicContact CG-CE2 3.74Å; P334-Y342 HydrophobicContact CG-CG 3.8Å; E340-Y342 PolarHBondContact O-N 2.87Å
343P89Confident86Confident18 Ų1872.8 Ų72.812%0.11738%0.381CS..  trans-71.1152.4-179.229.4-34.5000110.9L347 G383 W384P343-L347 HydrophobicContact CB-CB 4.25Å; P343-L347 HydrophobicContact CB-CD2 3.39Å; P343-L347 HydrophobicContact CB-CG 4.42Å; P343-L347 HydrophobicContact CG-CD2 4.08Å; P343-G383 WeakPolarHBondContact CG-O 3.44Å; P343-W384 HydrophobicContact CB-CD2 3.92Å; P343-W384 HydrophobicContact CB-CE3 3.83Å; P343-W384 HydrophobicContact CB-CH2 4.25Å; P343-W384 HydrophobicContact CB-CZ2 4.36Å; P343-W384 HydrophobicContact CB-CZ3 3.95Å; P343-W384 HydrophobicContact CG-CD2 4.04Å; P343-W384 HydrophobicContact CG-CE3 4.42Å; P343-W384 HydrophobicContact CG-CG 4.16Å
344P90.9Very high86Confident28 Ų2872 Ų7218%0.18238%0.378CS..  trans-65.4150.2171.128.8-34.1000111M323 W346 L347M323-P344 HydrophobicContact CE-CB 4.31Å; M323-P344 HydrophobicContact SD-CB 4.46Å; P344-W346 HydrophobicContact CB-CD2 3.74Å; P344-W346 HydrophobicContact CB-CE3 4.09Å; P344-W346 HydrophobicContact CB-CG 4.36Å; P344-W346 HydrophobicContact CB-CH2 3.71Å; P344-W346 HydrophobicContact CB-CZ2 3.32Å; P344-W346 HydrophobicContact CB-CZ3 4.06Å; P344-W346 HydrophobicContact CG-CD2 4.38Å; P344-W346 HydrophobicContact CG-CZ2 3.91Å; P344-W346 PolarHBondContact O-N 3.24Å; P344-W346 VanDerWaalsContact O-N 3.14Å; P344-L347 VanDerWaalsContact O-CB 3.23Å; P344-L347 WeakPolarHBondContact O-CB 3.22Å; P344-L347 PolarHBondContact O-N 3.36Å
345P89.1Confident86.2Confident88 Ų8871 Ų7157%0.57137%0.372SS*.THydrogen-bonded Turntrans-64.6-25.5-172.325.3-34.8000113.5L347P345-L347 PolarHBondContact O-N 3.44Å
346W91.9Very high86.5Confident111 Ų11169.9 Ų69.942%0.4236%0.364SS..THydrogen-bonded Turntrans-75.4-7.2176.757.473.4000113.8M323 L331 P344 I348 A349 M350M323-W346 HydrophobicContact SD-CH2 3.65Å; M323-W346 HydrophobicContact SD-CZ2 3.95Å; L331-W346 HydrophobicContact CD1-CH2 4.29Å; L331-W346 HydrophobicContact CD1-CZ3 4.29Å; P344-W346 HydrophobicContact CB-CD2 3.74Å; P344-W346 HydrophobicContact CB-CE3 4.09Å; P344-W346 HydrophobicContact CB-CG 4.36Å; P344-W346 HydrophobicContact CB-CH2 3.71Å; P344-W346 HydrophobicContact CB-CZ2 3.32Å; P344-W346 HydrophobicContact CB-CZ3 4.06Å; P344-W346 HydrophobicContact CG-CD2 4.38Å; P344-W346 HydrophobicContact CG-CZ2 3.91Å; P344-W346 PolarHBondContact O-N 3.24Å; P344-W346 VanDerWaalsContact O-N 3.14Å; W346-I348 PolarHBondContact O-N 2.53Å; W346-A349 WeakPolarHBondContact O-CB 3.46Å; W346-A349 PolarHBondContact O-N 2.84Å; W346-A349 VanDerWaalsContact O-N 3.09Å; W346-M350 VanDerWaalsContact CD1-SD 3.56Å; W346-M350 HydrophobicContact CG-CE 4.13Å; W346-M350 WeakPolarHBondContact O-CG 3.37Å; W346-M350 PolarHBondContact O-N 3.1Å
347L91Very high87Confident3 Ų374.4 Ų74.42%0.01639%0.386CS..Hα-helixtrans-54.9-42.7175.5178.968.7000111.4P343 P344 P345 A349 M350 Q351 I364 L367 W384P343-L347 HydrophobicContact CB-CB 4.25Å; P343-L347 HydrophobicContact CB-CD2 3.39Å; P343-L347 HydrophobicContact CB-CG 4.42Å; P343-L347 HydrophobicContact CG-CD2 4.08Å; P344-L347 VanDerWaalsContact O-CB 3.23Å; P344-L347 WeakPolarHBondContact O-CB 3.22Å; P344-L347 PolarHBondContact O-N 3.36Å; P345-L347 PolarHBondContact O-N 3.44Å; L347-A349 VanDerWaalsContact C-N 3.27Å; L347-A349 PolarHBondContact O-N 3Å; L347-M350 WeakPolarHBondContact O-CB 3.37Å; L347-M350 PolarHBondContact O-N 3.32Å; L347-M350 VanDerWaalsContact O-N 3.13Å; L347-Q351 WeakPolarHBondContact O-CG 3.43Å; L347-Q351 PolarHBondContact O-N 3.03Å; L347-I364 HydrophobicContact CD1-CG2 3.82Å; L347-L367 HydrophobicContact CD1-CB 4.44Å; L347-W384 HydrophobicContact CD2-CB 4.4Å; L347-W384 HydrophobicContact CD2-CD2 4.24Å; L347-W384 HydrophobicContact CD2-CE3 3.49Å; L347-W384 VanDerWaalsContact CD2-CE3 3.49Å; L347-W384 HydrophobicContact CD2-CZ3 4.1Å
348I88.5Confident87.7Confident64 Ų6471.6 Ų71.633%0.32837%0.367SS..Hα-helixtrans-62.6-36.8-179.9-60.8172.6000111W346 R352 Y379W346-I348 PolarHBondContact O-N 2.53Å; I348-R352 WeakPolarHBondContact O-CG 3.35Å; I348-R352 PolarHBondContact O-N 2.91Å; I348-Y379 HydrophobicContact CD1-CD1 4.44Å; I348-Y379 HydrophobicContact CD1-CE1 4.41Å; I348-Y379 HydrophobicContact CG2-CE1 4.44Å
349A91Very high88.4Confident44 Ų4475.6 Ų75.636%0.36437%0.372SS..Hα-helixtrans-70.8-41.1175.300000111.2W346 L347 Q351 R352 Y353W346-A349 WeakPolarHBondContact O-CB 3.46Å; W346-A349 PolarHBondContact O-N 2.84Å; W346-A349 VanDerWaalsContact O-N 3.09Å; L347-A349 VanDerWaalsContact C-N 3.27Å; L347-A349 PolarHBondContact O-N 3Å; A349-Q351 VanDerWaalsContact C-N 3.28Å; A349-Q351 PolarHBondContact O-N 3.27Å; A349-R352 PolarHBondContact O-N 3.38Å; A349-Y353 HydrophobicContact CB-CD2 4.34Å; A349-Y353 VanDerWaalsContact O-CD2 3.25Å; A349-Y353 WeakPolarHBondContact O-CD2 3.17Å; A349-Y353 PolarHBondContact O-N 3.13Å
350M91.6Very high88.8Confident37 Ų3779.9 Ų79.918%0.18240%0.4CS..Hα-helixtrans-62.7-33.5175.2-67.9178175.100112.4W346 L347 R352 G354 P356 I364 L367W346-M350 VanDerWaalsContact CD1-SD 3.56Å; W346-M350 HydrophobicContact CG-CE 4.13Å; W346-M350 WeakPolarHBondContact O-CG 3.37Å; W346-M350 PolarHBondContact O-N 3.1Å; L347-M350 WeakPolarHBondContact O-CB 3.37Å; L347-M350 PolarHBondContact O-N 3.32Å; L347-M350 VanDerWaalsContact O-N 3.13Å; M350-R352 VanDerWaalsContact C-N 3.27Å; M350-R352 PolarHBondContact O-N 3.29Å; M350-G354 WeakPolarHBondContact CA-O 3.28Å; M350-G354 CarbonylContact O-C 3.51Å; M350-G354 WeakPolarHBondContact O-CA 3.35Å; M350-G354 PolarHBondContact O-N 3.19Å; M350-P356 HydrophobicContact CE-CG 3.73Å; M350-I364 HydrophobicContact SD-CD1 3.77Å; M350-L367 HydrophobicContact CB-CD1 4.43Å; M350-L367 HydrophobicContact CB-CD2 4.04Å; M350-L367 WeakPolarHBondContact O-CD1 3.47Å
351Q89.4Confident89.2Confident16 Ų1679.9 Ų79.98%0.07540%0.404CS..Hα-helixtrans-66.4-27.6173.3-72.8171.6-17.900113.1L347 A349 G366 L367 W384 K386L347-Q351 WeakPolarHBondContact O-CG 3.43Å; L347-Q351 PolarHBondContact O-N 3.03Å; A349-Q351 VanDerWaalsContact C-N 3.28Å; A349-Q351 PolarHBondContact O-N 3.27Å; Q351-G366 PolarHBondContact NE2-O 3.47Å; Q351-L367 VanDerWaalsContact CA-CD1 3.45Å; Q351-L367 HydrophobicContact CB-CD1 4.17Å; Q351-L367 HydrophobicContact CG-CD1 3.7Å; Q351-W384 PolarHBondContact NE2-O 3.14Å; Q351-K386 PolarHBondContact NE2-O 3.25Å; Q351-K386 PolarHBondContact OE1-O 3.48Å; Q351-K386 VanDerWaalsContact OE1-O 3.07Å
352R87.9Confident89.6Confident172 Ų17274.8 Ų74.865%0.64939%0.387SS*.Hα-helixtrans-88.3-41.1-179.9-68.1175.4-177.6-146.20.3113.3I348 A349 M350I348-R352 WeakPolarHBondContact O-CG 3.35Å; I348-R352 PolarHBondContact O-N 2.91Å; A349-R352 PolarHBondContact O-N 3.38Å; M350-R352 VanDerWaalsContact C-N 3.27Å; M350-R352 PolarHBondContact O-N 3.29Å
353Y89.4Confident89.7Confident199 Ų19977.1 Ų77.178%0.7840%0.4SS*.Hα-helixtrans-101.6-18.4-173.7-62.4-67.2000113.4A349A349-Y353 HydrophobicContact CB-CD2 4.34Å; A349-Y353 VanDerWaalsContact O-CD2 3.25Å; A349-Y353 WeakPolarHBondContact O-CD2 3.17Å; A349-Y353 PolarHBondContact O-N 3.13Å
354G88Confident89.7Confident9 Ų977.2 Ų77.29%0.09340%0.399CS..  trans103.4175.1-174.400000113.9M350 Y397M350-G354 WeakPolarHBondContact CA-O 3.28Å; M350-G354 CarbonylContact O-C 3.51Å; M350-G354 WeakPolarHBondContact O-CA 3.35Å; M350-G354 PolarHBondContact O-N 3.19Å; G354-Y397 PolarHBondContact N-OH 2.96Å
355P90Very high89.5Confident39 Ų3978.2 Ų78.225%0.25341%0.405SS..SBendtrans-65.2158.917727.9-34.5000111.8L367P355-L367 HydrophobicContact CB-CD2 3.92Å
356P91.6Very high89.3Confident29 Ų2974 Ų7419%0.18838%0.378CS..  trans-53.8127.6177-28.336.1000113M350 S358 Y359M350-P356 HydrophobicContact CE-CG 3.73Å; P356-S358 PolarHBondContact O-N 3.28Å; P356-S358 VanDerWaalsContact O-N 3.17Å; P356-Y359 HydrophobicContact CB-CD2 4.13Å; P356-Y359 CarbonylContact O-C 3.5Å; P356-Y359 PolarHBondContact O-N 3.49Å
357P91.1Very high89.1Confident134 Ų13468.7 Ų68.787%0.8736%0.358SS*.THydrogen-bonded Turntrans-65.3-24.2-174.424.6-34.1000113.7Y359P357-Y359 VanDerWaalsContact C-N 3.32Å
358S92.3Very high88.8Confident86 Ų8669.3 Ų69.360%0.60136%0.361SS*.THydrogen-bonded Turntrans-77.6-14.9177.258.20000114P356P356-S358 PolarHBondContact O-N 3.28Å; P356-S358 VanDerWaalsContact O-N 3.17Å
359Y91.1Very high88.6Confident116 Ų11667.1 Ų67.146%0.45535%0.353SS..  trans-128.870.9-175.6-57.1-70.3000111.5P320 P356 P357 N361 L362P320-Y359 HydrophobicContact CB-CE2 4.31Å; P320-Y359 HydrophobicContact CG-CD1 4.27Å; P320-Y359 HydrophobicContact CG-CE1 3.92Å; P320-Y359 HydrophobicContact CG-CE2 4.44Å; P356-Y359 HydrophobicContact CB-CD2 4.13Å; P356-Y359 CarbonylContact O-C 3.5Å; P356-Y359 PolarHBondContact O-N 3.49Å; P357-Y359 VanDerWaalsContact C-N 3.32Å; Y359-N361 PolarHBondContact O-N 3.27Å; Y359-L362 WeakPolarHBondContact O-CB 3.28Å; Y359-L362 PolarHBondContact O-N 3.29Å
360P87.3Confident88.4Confident100 Ų10068.2 Ų68.265%0.64936%0.356SS*.THydrogen-bonded Turntrans-62.3-30.3-175.622.8-32.4000113.4
361N86.8Confident88.2Confident143 Ų14367.6 Ų67.677%0.76535%0.353SS*.THydrogen-bonded Turntrans-92.31-178.2-62.2-17.9000113.6Y359 K363Y359-N361 PolarHBondContact O-N 3.27Å; N361-K363 PolarHBondContact O-N 3.25Å
362L89Confident87.9Confident36 Ų3668.3 Ų68.319%0.18836%0.359CS..  trans-69.6118.7-176.8-178.566.7000110.5P320 Y359 I364 N368P320-L362 HydrophobicContact CB-CD1 4.49Å; P320-L362 HydrophobicContact CB-CD2 4.48Å; Y359-L362 WeakPolarHBondContact O-CB 3.28Å; Y359-L362 PolarHBondContact O-N 3.29Å; L362-I364 HydrophobicContact CD2-CD1 4.03Å; L362-I364 HydrophobicContact CD2-CG1 4.08Å; L362-I364 HydrophobicContact CG-CD1 4.37Å; L362-I364 HydrophobicContact CG-CG1 3.96Å; L362-N368 PolarHBondContact O-ND2 3.42Å
363K87Confident87.5Confident148 Ų14867.6 Ų67.664%0.64337%0.368SS*.  trans-85.2120.3174.5-56-58-177.4177.70109.5N361 A369N361-K363 PolarHBondContact O-N 3.25Å; K363-A369 HydrophobicContact CB-CB 4.28Å
364I89.2Confident87Confident20 Ų2061.9 Ų61.910%0.10337%0.37CS..  trans-120.3115.5-178-59.4172.9000107.1L347 M350 L362 G366 L367 N368 A369L347-I364 HydrophobicContact CD1-CG2 3.82Å; M350-I364 HydrophobicContact SD-CD1 3.77Å; L362-I364 HydrophobicContact CD2-CD1 4.03Å; L362-I364 HydrophobicContact CD2-CG1 4.08Å; L362-I364 HydrophobicContact CG-CD1 4.37Å; L362-I364 HydrophobicContact CG-CG1 3.96Å; I364-G366 PolarHBondContact O-N 2.95Å; I364-L367 HydrophobicContact CB-CB 4.1Å; I364-L367 HydrophobicContact CB-CD2 4.35Å; I364-L367 HydrophobicContact CD1-CD2 3.96Å; I364-L367 HydrophobicContact CG2-CB 4.05Å; I364-L367 PolarHBondContact O-N 3.27Å; I364-L367 VanDerWaalsContact O-N 3.16Å; I364-N368 WeakPolarHBondContact CA-OD1 3.46Å; I364-N368 PolarHBondContact N-OD1 3.41Å; I364-N368 PolarHBondContact O-N 3.02Å; I364-N368 PolarHBondContact O-OD1 3.45Å; I364-N368 VanDerWaalsContact O-OD1 3.11Å; I364-A369 PolarHBondContact O-N 3.26Å
365P87.5Confident86.8Confident48 Ų4862.9 Ų62.931%0.31238%0.376SS..BIsolated β-bridgetrans-57.6137.6176.117.6-25.4000111L367 P370 P372 W384P365-L367 VanDerWaalsContact C-N 3.29Å; P365-L367 PolarHBondContact O-N 3.11Å; P365-P370 WeakPolarHBondContact CB-O 3.5Å; P365-P372 HydrophobicContact CB-CG 4.38Å; P365-W384 HydrophobicContact CB-CE3 4.44Å; P365-W384 HydrophobicContact CB-CH2 3.7Å; P365-W384 HydrophobicContact CB-CZ3 3.5Å; P365-W384 HydrophobicContact CG-CH2 3.64Å; P365-W384 HydrophobicContact CG-CZ3 3.63Å; P365-W384 WeakPolarHBondContact O-CZ3 3.41Å
366G84.7Confident86.5Confident0 Ų063.6 Ų63.60%039%0.385CS..THydrogen-bonded Turntrans75.97.1-177.300000115.9Q351 I364 A369Q351-G366 PolarHBondContact NE2-O 3.47Å; I364-G366 PolarHBondContact O-N 2.95Å; G366-A369 PolarHBondContact N-O 3.17Å
367L86Confident86.1Confident0 Ų065.5 Ų65.50%039%0.39CS..THydrogen-bonded Turntrans-128.7-53.6175.3-172.878.3000113.3L347 M350 Q351 P355 I364 P365 P388 Y397 V400L347-L367 HydrophobicContact CD1-CB 4.44Å; M350-L367 HydrophobicContact CB-CD1 4.43Å; M350-L367 HydrophobicContact CB-CD2 4.04Å; M350-L367 WeakPolarHBondContact O-CD1 3.47Å; Q351-L367 VanDerWaalsContact CA-CD1 3.45Å; Q351-L367 HydrophobicContact CB-CD1 4.17Å; Q351-L367 HydrophobicContact CG-CD1 3.7Å; P355-L367 HydrophobicContact CB-CD2 3.92Å; I364-L367 HydrophobicContact CB-CB 4.1Å; I364-L367 HydrophobicContact CB-CD2 4.35Å; I364-L367 HydrophobicContact CD1-CD2 3.96Å; I364-L367 HydrophobicContact CG2-CB 4.05Å; I364-L367 PolarHBondContact O-N 3.27Å; I364-L367 VanDerWaalsContact O-N 3.16Å; P365-L367 VanDerWaalsContact C-N 3.29Å; P365-L367 PolarHBondContact O-N 3.11Å; L367-P388 HydrophobicContact CD1-CB 4.44Å; L367-P388 HydrophobicContact CD1-CG 3.9Å; L367-Y397 HydrophobicContact CD1-CD2 4.07Å; L367-V400 WeakPolarHBondContact O-CG2 3.31Å
368N85.4Confident85.8Confident15 Ų1560 Ų608%0.0836%0.357CS..THydrogen-bonded Turntrans-137.86.1178.766-17.4000112.6L362 I364 Y397 D399L362-N368 PolarHBondContact O-ND2 3.42Å; I364-N368 WeakPolarHBondContact CA-OD1 3.46Å; I364-N368 PolarHBondContact N-OD1 3.41Å; I364-N368 PolarHBondContact O-N 3.02Å; I364-N368 PolarHBondContact O-OD1 3.45Å; I364-N368 VanDerWaalsContact O-OD1 3.11Å; N368-Y397 WeakPolarHBondContact CB-O 3.5Å; N368-D399 CarbonylContact C-O 3.27Å
369A85.3Confident85.4Confident19 Ų1963.2 Ų63.216%0.15736%0.358CS..BIsolated β-bridgetrans-134.3155.9169.600000108.6K363 I364 G366 D399K363-A369 HydrophobicContact CB-CB 4.28Å; I364-A369 PolarHBondContact O-N 3.26Å; G366-A369 PolarHBondContact N-O 3.17Å; A369-D399 CarbonylContact C-O 3.18Å; A369-D399 WeakPolarHBondContact CA-O 3.48Å
370P86Confident85Confident67 Ų6762.3 Ų62.344%0.43536%0.357SS..PPolyproline II helixtrans-60.2154.3176.525.2-33.9000111.8P365 V400P365-P370 WeakPolarHBondContact CB-O 3.5Å; P370-V400 WeakPolarHBondContact CA-O 3.3Å
371I86.8Confident84.5Confident24 Ų2463.8 Ų63.812%0.12337%0.367CS..PPolyproline II helixtrans-67.9146.5172-64.5-176.2000109.3C375 F377 W384I371-C375 HydrophobicContact CG2-CB 3.38Å; I371-F377 HydrophobicContact CD1-CD1 3.47Å; I371-F377 VanDerWaalsContact CD1-CD1 3.47Å; I371-F377 HydrophobicContact CD1-CD2 3.5Å; I371-F377 VanDerWaalsContact CD1-CD2 3.5Å; I371-F377 HydrophobicContact CD1-CE1 3.29Å; I371-F377 HydrophobicContact CD1-CE2 3.3Å; I371-F377 HydrophobicContact CD1-CG 3.57Å; I371-F377 HydrophobicContact CD1-CZ 3.17Å; I371-F377 HydrophobicContact CG1-CE1 3.87Å; I371-F377 HydrophobicContact CG1-CE2 3.92Å; I371-F377 HydrophobicContact CG1-CZ 3.51Å; I371-W384 HydrophobicContact CD1-CB 3.48Å; I371-W384 VanDerWaalsContact CD1-CB 3.48Å; I371-W384 HydrophobicContact CD1-CD2 4.29Å; I371-W384 HydrophobicContact CD1-CG 3.75Å; I371-W384 HydrophobicContact CG1-CB 4.26Å; I371-W384 HydrophobicContact CG1-CD2 4.21Å; I371-W384 HydrophobicContact CG1-CE3 4.33Å; I371-W384 HydrophobicContact CG1-CG 4.2Å; I371-W384 HydrophobicContact CG2-CD2 3.9Å; I371-W384 HydrophobicContact CG2-CG 3.96Å; I371-W384 HydrophobicContact CG2-CZ2 4.4Å
372P83.3Confident84.1Confident31 Ų3158.3 Ų58.320%0.20134%0.344CS..PPolyproline II helixtrans-54.8145.5168.6-24.434.1000113.6P365 G374 C375 W384P365-P372 HydrophobicContact CB-CG 4.38Å; P372-G374 PolarHBondContact O-N 3.11Å; P372-C375 WeakPolarHBondContact O-CB 3.46Å; P372-C375 PolarHBondContact O-N 3.08Å; P372-W384 VanDerWaalsContact CD-CZ2 3.47Å; P372-W384 HydrophobicContact CG-CH2 3.94Å; P372-W384 HydrophobicContact CG-CZ2 3.77Å
373D80.8Confident83.9Confident156 Ų15657.1 Ų57.183%0.83434%0.341SS*.THydrogen-bonded Turntrans-55.6135-178.6-65.2-35.9000112.7
374G78.3Confident84Confident80 Ų8050.4 Ų50.483%0.82531%0.311SS*.THydrogen-bonded Turntrans83.87179.900000115.4P372P372-G374 PolarHBondContact O-N 3.11Å
375C82.6Confident83.9Confident30 Ų3049.5 Ų49.520%0.20331%0.308CS..  trans-107.6148.7172.8-57.90000111.3R341 I371 P372 W384R341-C375 WeakPolarHBondContact CA-SG 3.37Å; R341-C375 VanDerWaalsContact CB-SG 3.54Å; I371-C375 HydrophobicContact CG2-CB 3.38Å; P372-C375 WeakPolarHBondContact O-CB 3.46Å; P372-C375 PolarHBondContact O-N 3.08Å; C375-W384 VanDerWaalsContact CB-NE1 3.33Å
376A84Confident83.8Confident54 Ų5453.7 Ų53.745%0.44632%0.321SS..  trans-118.1148.1-178.400000111.8W384A376-W384 PolarHBondContact O-N 3.27Å
377F83.4Confident83.7Confident68 Ų6855 Ų5530%0.29833%0.329SS..  trans-66.4136.3165.1-70.6-77.3000109.6I371 W384 P387 V400 F401I371-F377 HydrophobicContact CD1-CD1 3.47Å; I371-F377 VanDerWaalsContact CD1-CD1 3.47Å; I371-F377 HydrophobicContact CD1-CD2 3.5Å; I371-F377 VanDerWaalsContact CD1-CD2 3.5Å; I371-F377 HydrophobicContact CD1-CE1 3.29Å; I371-F377 HydrophobicContact CD1-CE2 3.3Å; I371-F377 HydrophobicContact CD1-CG 3.57Å; I371-F377 HydrophobicContact CD1-CZ 3.17Å; I371-F377 HydrophobicContact CG1-CE1 3.87Å; I371-F377 HydrophobicContact CG1-CE2 3.92Å; I371-F377 HydrophobicContact CG1-CZ 3.51Å; F377-W384 HydrophobicContact CD1-CB 4.31Å; F377-P387 HydrophobicContact CD1-CB 4.05Å; F377-P387 HydrophobicContact CD1-CG 4.14Å; F377-P387 HydrophobicContact CE1-CB 3.65Å; F377-P387 HydrophobicContact CE1-CG 4.23Å; F377-P387 HydrophobicContact CE2-CB 4.49Å; F377-P387 HydrophobicContact CG-CG 4.34Å; F377-P387 HydrophobicContact CZ-CB 3.93Å; F377-V400 HydrophobicContact CE1-CG1 4.04Å; F377-V400 HydrophobicContact CZ-CG1 3.53Å; F377-F401 HydrophobicContact CE2-CE1 4.26Å
378G85.2Confident83.5Confident18 Ų1855.5 Ų55.519%0.18633%0.332CS..BIsolated β-bridgetrans159.8165.6-177.300000113.1G383 W384 G385G378-G383 CarbonylContact O-C 3.57Å; G378-G383 VanDerWaalsContact O-C 3.27Å; G378-G383 WeakPolarHBondContact O-CA 3.47Å; G378-W384 PolarHBondContact O-N 2.96Å; G378-G385 PolarHBondContact N-O 3.35Å; G378-G385 WeakPolarHBondContact O-CA 3.28Å; G378-G385 PolarHBondContact O-N 3.37Å
379Y84Confident83.3Confident154 Ų15456.9 Ų56.960%0.60434%0.341SS*.SBendtrans-99.317.1176.3-67.5-81.6000113.1I348 K386I348-Y379 HydrophobicContact CD1-CD1 4.44Å; I348-Y379 HydrophobicContact CD1-CE1 4.41Å; I348-Y379 HydrophobicContact CG2-CE1 4.44Å; Y379-K386 HydrophobicContact CE2-CB 4.41Å
380H82.6Confident83.1Confident97 Ų9759 Ų5945%0.44935%0.35SS..SBendtrans-76.2163.1172.756.275.4000110.5G382 G383H380-G382 PolarHBondContact O-N 2.61Å; H380-G383 WeakPolarHBondContact CE1-CA 3.34Å; H380-G383 PolarHBondContact ND1-N 2.92Å; H380-G383 WeakPolarHBondContact O-CA 3.39Å; H380-G383 PolarHBondContact O-N 3.16Å
381P77.1Confident82.9Confident131 Ų13165.8 Ų65.885%0.85138%0.376SS*.THydrogen-bonded Turntrans-52.2125.1172.3-25.234.4000110.8G383P381-G383 VanDerWaalsContact C-N 3.29Å; P381-G383 PolarHBondContact O-N 3.33Å
382G78.4Confident82.5Confident28 Ų2870.7 Ų70.729%0.28940%0.402SS..THydrogen-bonded Turntrans76.26.1-17400000115.9H380H380-G382 PolarHBondContact O-N 2.61Å
383G84.3Confident82.2Confident12 Ų1271.3 Ų71.312%0.12441%0.414CS..  trans-76.7150.8174.900000112.9P343 G378 H380 P381 G385P343-G383 WeakPolarHBondContact CG-O 3.44Å; G378-G383 CarbonylContact O-C 3.57Å; G378-G383 VanDerWaalsContact O-C 3.27Å; G378-G383 WeakPolarHBondContact O-CA 3.47Å; H380-G383 WeakPolarHBondContact CE1-CA 3.34Å; H380-G383 PolarHBondContact ND1-N 2.92Å; H380-G383 WeakPolarHBondContact O-CA 3.39Å; H380-G383 PolarHBondContact O-N 3.16Å; P381-G383 VanDerWaalsContact C-N 3.29Å; P381-G383 PolarHBondContact O-N 3.33Å; G383-G385 VanDerWaalsContact C-N 3.3Å; G383-G385 PolarHBondContact O-N 3.05Å
384W89.2Confident82Confident6 Ų670 Ų702%0.02340%0.397CS..  trans-89.918.2-174.8-73.471.3000114.8E340 R341 P343 L347 Q351 P365 I371 P372 C375 A376 F377 G378E340-W384 WeakPolarHBondContact O-CZ2 3.41Å; R341-W384 PolarHBondContact O-NE1 3.03Å; P343-W384 HydrophobicContact CB-CD2 3.92Å; P343-W384 HydrophobicContact CB-CE3 3.83Å; P343-W384 HydrophobicContact CB-CH2 4.25Å; P343-W384 HydrophobicContact CB-CZ2 4.36Å; P343-W384 HydrophobicContact CB-CZ3 3.95Å; P343-W384 HydrophobicContact CG-CD2 4.04Å; P343-W384 HydrophobicContact CG-CE3 4.42Å; P343-W384 HydrophobicContact CG-CG 4.16Å; L347-W384 HydrophobicContact CD2-CB 4.4Å; L347-W384 HydrophobicContact CD2-CD2 4.24Å; L347-W384 HydrophobicContact CD2-CE3 3.49Å; L347-W384 VanDerWaalsContact CD2-CE3 3.49Å; L347-W384 HydrophobicContact CD2-CZ3 4.1Å; Q351-W384 PolarHBondContact NE2-O 3.14Å; P365-W384 HydrophobicContact CB-CE3 4.44Å; P365-W384 HydrophobicContact CB-CH2 3.7Å; P365-W384 HydrophobicContact CB-CZ3 3.5Å; P365-W384 HydrophobicContact CG-CH2 3.64Å; P365-W384 HydrophobicContact CG-CZ3 3.63Å; P365-W384 WeakPolarHBondContact O-CZ3 3.41Å; I371-W384 HydrophobicContact CD1-CB 3.48Å; I371-W384 VanDerWaalsContact CD1-CB 3.48Å; I371-W384 HydrophobicContact CD1-CD2 4.29Å; I371-W384 HydrophobicContact CD1-CG 3.75Å; I371-W384 HydrophobicContact CG1-CB 4.26Å; I371-W384 HydrophobicContact CG1-CD2 4.21Å; I371-W384 HydrophobicContact CG1-CE3 4.33Å; I371-W384 HydrophobicContact CG1-CG 4.2Å; I371-W384 HydrophobicContact CG2-CD2 3.9Å; I371-W384 HydrophobicContact CG2-CG 3.96Å; I371-W384 HydrophobicContact CG2-CZ2 4.4Å; P372-W384 VanDerWaalsContact CD-CZ2 3.47Å; P372-W384 HydrophobicContact CG-CH2 3.94Å; P372-W384 HydrophobicContact CG-CZ2 3.77Å; C375-W384 VanDerWaalsContact CB-NE1 3.33Å; A376-W384 PolarHBondContact O-N 3.27Å; F377-W384 HydrophobicContact CD1-CB 4.31Å; G378-W384 PolarHBondContact O-N 2.96Å
385G87.2Confident82Confident2 Ų267.8 Ų67.82%0.02137%0.369CS..BIsolated β-bridgetrans70.1-153.1-179.500000112.6G378 G383G378-G385 PolarHBondContact N-O 3.35Å; G378-G385 WeakPolarHBondContact O-CA 3.28Å; G378-G385 PolarHBondContact O-N 3.37Å; G383-G385 VanDerWaalsContact C-N 3.3Å; G383-G385 PolarHBondContact O-N 3.05Å
386K84.7Confident81.8Confident136 Ų13670 Ų7059%0.59138%0.381SS*.  trans-104.7130-179.6-173.7-174.5176.8-171.20108.7Q351 Y379Q351-K386 PolarHBondContact NE2-O 3.25Å; Q351-K386 PolarHBondContact OE1-O 3.48Å; Q351-K386 VanDerWaalsContact OE1-O 3.07Å; Y379-K386 HydrophobicContact CE2-CB 4.41Å
387P83.1Confident81.5Confident27 Ų2771.3 Ų71.318%0.17538%0.375CS..  trans-59.2136.6176.925.4-32.4000109.8F377 V389 V400 F401F377-P387 HydrophobicContact CD1-CB 4.05Å; F377-P387 HydrophobicContact CD1-CG 4.14Å; F377-P387 HydrophobicContact CE1-CB 3.65Å; F377-P387 HydrophobicContact CE1-CG 4.23Å; F377-P387 HydrophobicContact CE2-CB 4.49Å; F377-P387 HydrophobicContact CG-CG 4.34Å; F377-P387 HydrophobicContact CZ-CB 3.93Å; P387-V389 HydrophobicContact CB-CG2 3.84Å; P387-V389 HydrophobicContact CG-CG2 4.07Å; P387-V389 WeakPolarHBondContact O-CG2 3.13Å; P387-V389 PolarHBondContact O-N 3.42Å; P387-V400 HydrophobicContact CB-CG1 3.74Å; P387-F401 HydrophobicContact CB-CZ 4.21Å; P387-F401 HydrophobicContact CG-CZ 4.35Å
388P82Confident81.1Confident10 Ų1069.8 Ų69.87%0.06538%0.379CS..  trans-74.690.9-179.932.6-37.8000109.7L367 P395 V396 Y397 V400L367-P388 HydrophobicContact CD1-CB 4.44Å; L367-P388 HydrophobicContact CD1-CG 3.9Å; P388-P395 WeakPolarHBondContact O-CA 3.38Å; P388-V396 PolarHBondContact O-N 3.08Å; P388-Y397 HydrophobicContact CB-CD2 3.72Å; P388-Y397 HydrophobicContact CB-CE2 3.97Å; P388-Y397 HydrophobicContact CG-CD2 4.01Å; P388-V400 HydrophobicContact CG-CG2 3.89Å
389V81.1Confident80.7Confident44 Ų4470.6 Ų70.627%0.26738%0.379SS..BIsolated β-bridgetrans-122.5137.5-173.7-172.90000108.9P387 G393 R394 F401P387-V389 HydrophobicContact CB-CG2 3.84Å; P387-V389 HydrophobicContact CG-CG2 4.07Å; P387-V389 WeakPolarHBondContact O-CG2 3.13Å; P387-V389 PolarHBondContact O-N 3.42Å; V389-G393 VanDerWaalsContact CG1-O 3.25Å; V389-G393 WeakPolarHBondContact CG1-O 3.34Å; V389-R394 CarbonylContact C-O 3.53Å; V389-R394 WeakPolarHBondContact CA-O 3.41Å; V389-R394 VanDerWaalsContact CG1-N 3.33Å; V389-R394 WeakPolarHBondContact CG1-O 3.48Å; V389-F401 HydrophobicContact CG2-CE2 4.3Å; V389-F401 HydrophobicContact CG2-CZ 4.19Å
390D80.9Confident80.2Confident65 Ų6563.3 Ų63.335%0.34835%0.351SS..  trans-68.7177.8175.169.87.4000112.1L392 G393 R394 V396D390-L392 PolarHBondContact O-N 2.95Å; D390-L392 VanDerWaalsContact O-N 3.09Å; D390-L392 VanDerWaalsContact OD1-C 3.3Å; D390-L392 WeakPolarHBondContact OD1-CA 3.43Å; D390-L392 WeakPolarHBondContact OD1-CB 3.49Å; D390-L392 PolarHBondContact OD1-N 3.24Å; D390-G393 PolarHBondContact O-N 3.42Å; D390-G393 PolarHBondContact OD1-N 2.95Å; D390-R394 PolarHBondContact N-O 2.88Å; D390-R394 WeakPolarHBondContact OD1-CA 3.49Å; D390-R394 WeakPolarHBondContact OD1-CB 3.45Å; D390-R394 PolarHBondContact OD1-N 3.3Å; D390-R394 WeakPolarHBondContact OD2-CB 3.25Å; D390-V396 HydrophobicContact CB-CG2 4.21Å
391E82.8Confident79.7Confident208 Ų20863 Ų6397%0.97235%0.348SS*.THydrogen-bonded Turntrans-58.6-20.4177.4-62.9179.1176.100113.3
392L77.9Confident79.2Confident127 Ų12758.9 Ų58.967%0.66533%0.329SS*.THydrogen-bonded Turntrans-97.74.5-176.9-72.5165.6000113.5D390 R394D390-L392 PolarHBondContact O-N 2.95Å; D390-L392 VanDerWaalsContact O-N 3.09Å; D390-L392 VanDerWaalsContact OD1-C 3.3Å; D390-L392 WeakPolarHBondContact OD1-CA 3.43Å; D390-L392 WeakPolarHBondContact OD1-CB 3.49Å; D390-L392 PolarHBondContact OD1-N 3.24Å; L392-R394 VanDerWaalsContact C-N 3.34Å; L392-R394 HydrophobicContact CB-CG 4.32Å
393G76.3Confident78.3Confident45 Ų4562.3 Ų62.346%0.46434%0.341SS..SBendtrans82.48.9-179.600000114.4V389 D390V389-G393 VanDerWaalsContact CG1-O 3.25Å; V389-G393 WeakPolarHBondContact CG1-O 3.34Å; D390-G393 PolarHBondContact O-N 3.42Å; D390-G393 PolarHBondContact OD1-N 2.95Å
394R76.5Confident76.9Confident127 Ų12764.9 Ų64.948%0.47937%0.367SS..  trans-96.2137.2-180-50.5175.8-177.3-1780.7111.3V389 D390 L392V389-R394 CarbonylContact C-O 3.53Å; V389-R394 WeakPolarHBondContact CA-O 3.41Å; V389-R394 VanDerWaalsContact CG1-N 3.33Å; V389-R394 WeakPolarHBondContact CG1-O 3.48Å; D390-R394 PolarHBondContact N-O 2.88Å; D390-R394 WeakPolarHBondContact OD1-CA 3.49Å; D390-R394 WeakPolarHBondContact OD1-CB 3.45Å; D390-R394 PolarHBondContact OD1-N 3.3Å; D390-R394 WeakPolarHBondContact OD2-CB 3.25Å; L392-R394 VanDerWaalsContact C-N 3.34Å; L392-R394 HydrophobicContact CB-CG 4.32Å
395P79.3Confident74.9Confident34 Ų3467 Ų6722%0.22139%0.391CS..BIsolated β-bridgetrans-73134.1-176.731.9-36.7000111.7P388 G398 V400P388-P395 WeakPolarHBondContact O-CA 3.38Å; P395-G398 WeakPolarHBondContact CB-O 3.35Å; P395-G398 WeakPolarHBondContact CG-O 3.35Å; P395-V400 HydrophobicContact CB-CB 4.19Å; P395-V400 HydrophobicContact CB-CG2 3.64Å
396V77.8Confident72.6Confident78 Ų7873 Ų7347%0.47342%0.422SS..SBendtrans-79.1-36-168.5179.20000112.9P388 D390P388-V396 PolarHBondContact O-N 3.08Å; D390-V396 HydrophobicContact CB-CG2 4.21Å
397Y77.5Confident70.5Confident80 Ų8071.2 Ų71.231%0.31442%0.419SS..SBendtrans-113.18-169-58.3-61.9000114.4G354 L367 N368 P388G354-Y397 PolarHBondContact N-OH 2.96Å; L367-Y397 HydrophobicContact CD1-CD2 4.07Å; N368-Y397 WeakPolarHBondContact CB-O 3.5Å; P388-Y397 HydrophobicContact CB-CD2 3.72Å; P388-Y397 HydrophobicContact CB-CE2 3.97Å; P388-Y397 HydrophobicContact CG-CD2 4.01Å
398G75.4Confident68.4Low37 Ų3773.4 Ų73.438%0.38144%0.439SS..SBendtrans140.7-154.7-178.400000112.2P395 V400P395-G398 WeakPolarHBondContact CB-O 3.35Å; P395-G398 WeakPolarHBondContact CG-O 3.35Å; G398-V400 PolarHBondContact O-N 3.21Å
399D77.6Confident66.3Low35 Ų3576.9 Ų76.919%0.18748%0.477CS..  trans-95.593.3-177.6-171.10.6000111.4N368 A369 F401 G402 N403 G404 G405N368-D399 CarbonylContact C-O 3.27Å; A369-D399 CarbonylContact C-O 3.18Å; A369-D399 WeakPolarHBondContact CA-O 3.48Å; D399-F401 VanDerWaalsContact C-N 3.26Å; D399-F401 PolarHBondContact O-N 2.93Å; D399-F401 PolarHBondContact OD1-N 3.09Å; D399-G402 PolarHBondContact OD1-N 3.29Å; D399-N403 PolarHBondContact OD1-N 3.02Å; D399-N403 PolarHBondContact OD2-N 3.4Å; D399-G404 WeakPolarHBondContact OD2-CA 3.39Å; D399-G404 PolarHBondContact OD2-N 3.38Å; D399-G405 PolarHBondContact OD2-N 3.26Å
400V72.6Confident64.4Low1 Ų180.2 Ų80.21%0.00650%0.497CS..SBendtrans-73.6-19.7179.7-1760000112.1L367 P370 F377 P387 P388 P395 G398L367-V400 WeakPolarHBondContact O-CG2 3.31Å; P370-V400 WeakPolarHBondContact CA-O 3.3Å; F377-V400 HydrophobicContact CE1-CG1 4.04Å; F377-V400 HydrophobicContact CZ-CG1 3.53Å; P387-V400 HydrophobicContact CB-CG1 3.74Å; P388-V400 HydrophobicContact CG-CG2 3.89Å; P395-V400 HydrophobicContact CB-CB 4.19Å; P395-V400 HydrophobicContact CB-CG2 3.64Å; G398-V400 PolarHBondContact O-N 3.21Å
401F72.8Confident62.5Low91 Ų9182 Ų8240%0.39951%0.512SS..SBendtrans-107.3-9.6-171.3-59.9-67.2000113.2F377 P387 V389 D399 N403F377-F401 HydrophobicContact CE2-CE1 4.26Å; P387-F401 HydrophobicContact CB-CZ 4.21Å; P387-F401 HydrophobicContact CG-CZ 4.35Å; V389-F401 HydrophobicContact CG2-CE2 4.3Å; V389-F401 HydrophobicContact CG2-CZ 4.19Å; D399-F401 VanDerWaalsContact C-N 3.26Å; D399-F401 PolarHBondContact O-N 2.93Å; D399-F401 PolarHBondContact OD1-N 3.09Å; F401-N403 VanDerWaalsContact C-N 3.32Å; F401-N403 VanDerWaalsContact CB-OD1 3.27Å; F401-N403 WeakPolarHBondContact CB-OD1 3.18Å; F401-N403 PolarHBondContact O-OD1 3.1Å
402G64.9Low60.8Low44 Ų4477.5 Ų77.545%0.45450%0.501SS..  trans75.822.2179.700000113.1D399 G404D399-G402 PolarHBondContact OD1-N 3.29Å; G402-G404 PolarHBondContact O-N 2.84Å
403N60.6Low59.5Low100 Ų10077 Ų7754%0.53551%0.505SS..SBendtrans-82.113.8-178.7-76.572.1000114D399 F401 G405 N406D399-N403 PolarHBondContact OD1-N 3.02Å; D399-N403 PolarHBondContact OD2-N 3.4Å; F401-N403 VanDerWaalsContact C-N 3.32Å; F401-N403 VanDerWaalsContact CB-OD1 3.27Å; F401-N403 WeakPolarHBondContact CB-OD1 3.18Å; F401-N403 PolarHBondContact O-OD1 3.1Å; N403-G405 VanDerWaalsContact C-N 3.28Å; N403-G405 PolarHBondContact O-N 2.93Å; N403-N406 WeakPolarHBondContact O-CB 3.14Å; N403-N406 PolarHBondContact O-N 3.46Å
404G54.2Low58.1Low65 Ų6580.1 Ų80.167%0.6752%0.517SS*.THydrogen-bonded Turntrans65.925.5178.800000114.1D399 G402 N406D399-G404 WeakPolarHBondContact OD2-CA 3.39Å; D399-G404 PolarHBondContact OD2-N 3.38Å; G402-G404 PolarHBondContact O-N 2.84Å; G404-N406 PolarHBondContact O-N 2.94Å
405G47.6Very low57.2Low51 Ų5179.6 Ų79.653%0.52653%0.53SS..THydrogen-bonded Turntrans69.111.6-174.700000115.1D399 N403 I407D399-G405 PolarHBondContact OD2-N 3.26Å; N403-G405 VanDerWaalsContact C-N 3.28Å; N403-G405 PolarHBondContact O-N 2.93Å; G405-I407 PolarHBondContact O-N 3.17Å
406N38.1Very low56.2Low127 Ų12782.8 Ų82.868%0.67955%0.551SS**  trans-79.848.2-178-79.5-24.1000114.5N403 G404N403-N406 WeakPolarHBondContact O-CB 3.14Å; N403-N406 PolarHBondContact O-N 3.46Å; G404-N406 PolarHBondContact O-N 2.94Å
407I41.6Very low54.8Low100 Ų10084.6 Ų84.651%0.51356%0.564SS.*SBendtrans-11899.1162.4-56.6176.4000106.8G405G405-I407 PolarHBondContact O-N 3.17Å
408A37.9Very low53.4Low73 Ų7386.1 Ų86.160%0.60358%0.582SS**SBendtrans83.670.1-17800000117.6V410A408-V410 VanDerWaalsContact C-N 3.27Å; A408-V410 PolarHBondContact O-N 3.1Å
409G39.9Very low52.2Low83 Ų8388.3 Ų88.386%0.85659%0.588SS**SBendtrans60.110.414100000120.4
410V40.3Very low50.9Low114 Ų11495.8 Ų95.869%0.69162%0.619SS**  trans-96.7115.9176.8-178.60000108.8A408A408-V410 VanDerWaalsContact C-N 3.27Å; A408-V410 PolarHBondContact O-N 3.1Å
411P41Very low50Low102 Ų102102.7 Ų102.766%0.66265%0.652SS**PPolyproline II helixtrans-63.9148.7177.726.9-32.6000110.4
412P47.3Very low49Very low114 Ų114100.8 Ų100.874%0.7465%0.645SS**PPolyproline II helixtrans-57.9139.9179.125.1-33.3000110
413P49.5Very low48.4Very low115 Ų115100.5 Ų100.575%0.74764%0.639SS**PPolyproline II helixtrans-60.5144.4174.726.2-32.4000109.3
414P48.3Very low48.1Very low112 Ų112100.7 Ų100.773%0.72764%0.64SS**PPolyproline II helixtrans-58.1148.9177.225.4-33.2000110
415P57.7Low48.2Very low116 Ų116102.9 Ų102.975%0.75363%0.633SS**PPolyproline II helixtrans-54.9141.8178.723.8-32.9000109.9
416P56.9Low48.5Very low101 Ų101104.2 Ų104.266%0.65663%0.625SS**PPolyproline II helixtrans-57.3145.7175.525.5-32.7000109.5T418P416-T418 PolarHBondContact O-N 3.23Å
417P49.1Very low49.3Very low116 Ų116100 Ų10075%0.75360%0.602SS**PPolyproline II helixtrans-59.4130.7175.125.4-31.5000108.2T419P417-T419 PolarHBondContact O-N 3.3Å
418T47.4Very low50Low111 Ų11199.3 Ų99.368%0.68161%0.612SS**  trans-42.7109.1-176.949.60000110.7P416 D422P416-T418 PolarHBondContact O-N 3.23Å; T418-D422 WeakPolarHBondContact CA-OD2 3.49Å; T418-D422 HydrophobicContact CG2-CB 4.44Å
419T51.9Low50.8Low83 Ų83102.5 Ų102.551%0.50961%0.614SS.*  trans-80.8159.1174.8-7.60000107.2P417 E421 D422P417-T419 PolarHBondContact O-N 3.3Å; T419-E421 PolarHBondContact O-N 3.12Å; T419-D422 PolarHBondContact N-OD2 3.2Å; T419-D422 WeakPolarHBondContact O-CB 3.28Å; T419-D422 PolarHBondContact O-N 3.42Å
420F49.9Very low51.7Low192 Ų192101.6 Ų101.684%0.84260%0.604SS**Hα-helixtrans-52.9-19.1179.3-78.8-91.6000114.2A423F420-A423 WeakPolarHBondContact O-CB 3.23Å; F420-A423 PolarHBondContact O-N 3.17Å
421E53.4Low52.6Low147 Ų147102.3 Ų102.369%0.68760%0.604SS**Hα-helixtrans-67.3-32174.1-58.4-177.6167.600113T419 A423 D424 E425T419-E421 PolarHBondContact O-N 3.12Å; E421-A423 PolarHBondContact O-N 2.97Å; E421-D424 PolarHBondContact O-N 3.37Å; E421-E425 PolarHBondContact O-N 3.14Å
422D51.7Low53.6Low50 Ų50101.1 Ų101.127%0.26759%0.591SS.*Hα-helixtrans-71.6-20.8177.7-59.5-60.1000112.2T418 T419 Q426T418-D422 WeakPolarHBondContact CA-OD2 3.49Å; T418-D422 HydrophobicContact CG2-CB 4.44Å; T419-D422 PolarHBondContact N-OD2 3.2Å; T419-D422 WeakPolarHBondContact O-CB 3.28Å; T419-D422 PolarHBondContact O-N 3.42Å; D422-Q426 WeakPolarHBondContact O-CB 3.49Å; D422-Q426 WeakPolarHBondContact O-CG 3.46Å; D422-Q426 PolarHBondContact O-N 3.21Å; D422-Q426 PolarHBondContact O-NE2 2.83Å
423A51.9Low54.5Low38 Ų3899.4 Ų99.431%0.31458%0.582SS.*Hα-helixtrans-72.9-40.1174.300000110.8F420 E421 E425 Q426 I427F420-A423 WeakPolarHBondContact O-CB 3.23Å; F420-A423 PolarHBondContact O-N 3.17Å; E421-A423 PolarHBondContact O-N 2.97Å; A423-E425 VanDerWaalsContact C-N 3.3Å; A423-E425 PolarHBondContact O-N 3.49Å; A423-Q426 PolarHBondContact O-N 3.36Å; A423-I427 WeakPolarHBondContact O-CB 3.49Å; A423-I427 VanDerWaalsContact O-CD1 3.28Å; A423-I427 WeakPolarHBondContact O-CD1 3.49Å; A423-I427 WeakPolarHBondContact O-CG1 3.25Å; A423-I427 PolarHBondContact O-N 3.16Å
424D55.3Low55.6Low104 Ų104100.4 Ų100.456%0.55657%0.572SS**Hα-helixtrans-65.8-35.4175.4-69.5-21.1000111.2E421 A428E421-D424 PolarHBondContact O-N 3.37Å; D424-A428 WeakPolarHBondContact O-CB 3.21Å; D424-A428 PolarHBondContact O-N 3.36Å
425E56.2Low57.2Low112 Ų112107.5 Ų107.552%0.52359%0.585SS.*Hα-helixtrans-70.3-41172.3-69.3-170.3172.200112.3E421 A423 I427 A428 H429E421-E425 PolarHBondContact O-N 3.14Å; A423-E425 VanDerWaalsContact C-N 3.3Å; A423-E425 PolarHBondContact O-N 3.49Å; E425-I427 VanDerWaalsContact C-N 3.28Å; E425-I427 PolarHBondContact O-N 3.34Å; E425-A428 CarbonylContact O-C 3.22Å; E425-A428 PolarHBondContact O-N 2.62Å; E425-H429 WeakPolarHBondContact O-CB 3.44Å; E425-H429 PolarHBondContact O-CD2 3.45Å; E425-H429 PolarHBondContact O-N 3.39Å
426Q53.4Low58.2Low78 Ų78105.4 Ų105.436%0.36458%0.584SS.*Hα-helixtrans-64.3-31.8175.3-77167.364.100113.1D422 A423 G430 N431 I432D422-Q426 WeakPolarHBondContact O-CB 3.49Å; D422-Q426 WeakPolarHBondContact O-CG 3.46Å; D422-Q426 PolarHBondContact O-N 3.21Å; D422-Q426 PolarHBondContact O-NE2 2.83Å; A423-Q426 PolarHBondContact O-N 3.36Å; Q426-G430 PolarHBondContact O-N 3.42Å; Q426-N431 PolarHBondContact O-N 3.49Å; Q426-I432 HydrophobicContact CB-CD1 3.85Å; Q426-I432 HydrophobicContact CB-CG1 4.41Å
427I55.6Low59Low39 Ų39105.9 Ų105.920%0.258%0.577CS.*Hα-helixtrans-72-43.6172-66.2160.8000110.2A423 E425 H429 G430 I432 Y434A423-I427 WeakPolarHBondContact O-CB 3.49Å; A423-I427 VanDerWaalsContact O-CD1 3.28Å; A423-I427 WeakPolarHBondContact O-CD1 3.49Å; A423-I427 WeakPolarHBondContact O-CG1 3.25Å; A423-I427 PolarHBondContact O-N 3.16Å; E425-I427 VanDerWaalsContact C-N 3.28Å; E425-I427 PolarHBondContact O-N 3.34Å; I427-H429 VanDerWaalsContact C-N 3.25Å; I427-H429 PolarHBondContact O-N 3.22Å; I427-G430 PolarHBondContact O-N 2.94Å; I427-G430 VanDerWaalsContact O-N 3.11Å; I427-I432 HydrophobicContact CG1-CB 3.92Å; I427-I432 HydrophobicContact CG1-CG2 4.11Å; I427-Y434 HydrophobicContact CD1-CE1 3.91Å; I427-Y434 HydrophobicContact CD1-CE2 4.49Å; I427-Y434 HydrophobicContact CG2-CD2 4.09Å; I427-Y434 HydrophobicContact CG2-CE2 3.41Å; I427-Y434 VanDerWaalsContact CG2-CE2 3.41Å
428A56.1Low60.1Low86 Ų86107.9 Ų107.971%0.71158%0.581SS**Hα-helixtrans-65.2-27.917600000113.3D424 E425 G430D424-A428 WeakPolarHBondContact O-CB 3.21Å; D424-A428 PolarHBondContact O-N 3.36Å; E425-A428 CarbonylContact O-C 3.22Å; E425-A428 PolarHBondContact O-N 2.62Å; A428-G430 VanDerWaalsContact C-N 3.31Å
429H55Low60.9Low139 Ų139110.6 Ų110.664%0.64459%0.586SS**THydrogen-bonded Turntrans-87.78.2175.3-70.2-57.8000113.7E425 I427 N431E425-H429 WeakPolarHBondContact O-CB 3.44Å; E425-H429 PolarHBondContact O-CD2 3.45Å; E425-H429 PolarHBondContact O-N 3.39Å; I427-H429 VanDerWaalsContact C-N 3.25Å; I427-H429 PolarHBondContact O-N 3.22Å; H429-N431 VanDerWaalsContact C-N 3.31Å; H429-N431 PolarHBondContact O-N 2.98Å
430G57.9Low61.2Low64 Ų64110 Ų11066%0.6659%0.585SS**THydrogen-bonded Turntrans75.310.9171.300000115.4Q426 I427 A428Q426-G430 PolarHBondContact O-N 3.42Å; I427-G430 PolarHBondContact O-N 2.94Å; I427-G430 VanDerWaalsContact O-N 3.11Å; A428-G430 VanDerWaalsContact C-N 3.31Å
431N59.8Low61.5Low130 Ų130107.4 Ų107.470%0.69558%0.58SS**SBendtrans-87.1-13.6-178.7-72.2-19.8000113.2Q426 H429Q426-N431 PolarHBondContact O-N 3.49Å; H429-N431 VanDerWaalsContact C-N 3.31Å; H429-N431 PolarHBondContact O-N 2.98Å
432I61.7Low61.3Low76 Ų76108.9 Ų108.939%0.3959%0.587SS.*SBendtrans-140.9109.7-179.1-55.9172.9000107.6Q426 I427Q426-I432 HydrophobicContact CB-CD1 3.85Å; Q426-I432 HydrophobicContact CB-CG1 4.41Å; I427-I432 HydrophobicContact CG1-CB 3.92Å; I427-I432 HydrophobicContact CG1-CG2 4.11Å
433S65.9Low61Low78 Ų78113.8 Ų113.855%0.54561%0.608SS.*  trans-81.2146.3169.4174.10000110E437S433-E437 WeakPolarHBondContact CB-OE2 3.35Å; S433-E437 WeakPolarHBondContact OG-CB 3.47Å; S433-E437 PolarHBondContact OG-OE2 3.24Å
434Y72.5Confident60.6Low136 Ų136116.4 Ų116.453%0.53362%0.624SS.*  trans-70.2137.2173.7-73-76.7000109.9I427 G436 E437I427-Y434 HydrophobicContact CD1-CE1 3.91Å; I427-Y434 HydrophobicContact CD1-CE2 4.49Å; I427-Y434 HydrophobicContact CG2-CD2 4.09Å; I427-Y434 HydrophobicContact CG2-CE2 3.41Å; I427-Y434 VanDerWaalsContact CG2-CE2 3.41Å; Y434-G436 PolarHBondContact O-N 3.27Å; Y434-E437 PolarHBondContact N-OE2 3.4Å; Y434-E437 WeakPolarHBondContact O-CB 3.49Å; Y434-E437 PolarHBondContact O-N 3.38Å
435W81.1Confident60.1Low262 Ų262120.3 Ų120.399%0.99264%0.639SS**THydrogen-bonded Turntrans-58.7115.8172-172.881.6000110
436G80.2Confident59.6Low71 Ų71118.1 Ų118.173%0.73265%0.646SS**THydrogen-bonded Turntrans95.19.1-175.100000115.5Y434 L438Y434-G436 PolarHBondContact O-N 3.27Å; G436-L438 PolarHBondContact O-N 3.49Å
437E73.3Confident59.2Low112 Ų112123.2 Ų123.252%0.52367%0.67SS.*PPolyproline II helixtrans-63.2122.5160-170.7164.4-157.600108.2S433 Y434 E439S433-E437 WeakPolarHBondContact CB-OE2 3.35Å; S433-E437 WeakPolarHBondContact OG-CB 3.47Å; S433-E437 PolarHBondContact OG-OE2 3.24Å; Y434-E437 PolarHBondContact N-OE2 3.4Å; Y434-E437 WeakPolarHBondContact O-CB 3.49Å; Y434-E437 PolarHBondContact O-N 3.38Å; E437-E439 PolarHBondContact O-N 3Å
438L72.4Confident58.5Low158 Ų158130.5 Ų130.583%0.82770%0.703SS**PPolyproline II helixtrans-66117.9172.2-77.2156.2000106.5G436 S440G436-L438 PolarHBondContact O-N 3.49Å; L438-S440 PolarHBondContact O-N 2.93Å
439E64.6Low57.7Low167 Ų167129.9 Ų129.978%0.7871%0.705SS**PPolyproline II helixtrans-51131.7163.7-69.1172.3178.700106.9E437 D441E437-E439 PolarHBondContact O-N 3Å; E439-D441 PolarHBondContact O-N 2.93Å; E439-D441 VanDerWaalsContact O-N 3.16Å
440S57.6Low56.9Low71 Ų71130.6 Ų130.650%0.49771%0.714SS.*PPolyproline II helixtrans-58.7123.9-177.246.10000109L438 E442 E443L438-S440 PolarHBondContact O-N 2.93Å; S440-E442 PolarHBondContact O-N 3.1Å; S440-E443 PolarHBondContact O-N 3.4Å
441D55.1Low55.8Low138 Ų138135.7 Ų135.774%0.73872%0.721SS**THydrogen-bonded Turntrans-53.1-15.1179.4-62.7-35.9000113.2E439 E443 S444E439-D441 PolarHBondContact O-N 2.93Å; E439-D441 VanDerWaalsContact O-N 3.16Å; D441-E443 PolarHBondContact O-N 3.33Å; D441-S444 PolarHBondContact O-N 3.45Å
442E50.2Low54.8Low178 Ų178136.2 Ų136.283%0.83272%0.724SS**THydrogen-bonded Turntrans-68.4-23175-65.7-176.5176.800114.6S440S440-E442 PolarHBondContact O-N 3.1Å
443E46.3Very low53.7Low153 Ų153141.7 Ų141.772%0.71575%0.75SS**THydrogen-bonded Turntrans-80.8-20.4174.3-77.8-173.5159.900112.6S440 D441S440-E443 PolarHBondContact O-N 3.4Å; D441-E443 PolarHBondContact O-N 3.33Å
444S42Very low52.5Low93 Ų93145.7 Ų145.765%0.6577%0.765SS**G310 helixtrans-82.4-20.3-177.8-173.40000114.2D441 G446D441-S444 PolarHBondContact O-N 3.45Å; S444-G446 VanDerWaalsContact C-N 3.3Å
445E44.9Very low50.8Low185 Ų185144.8 Ų144.886%0.86477%0.774SS**G310 helixtrans-86.41.3176.8-66.7-159.3172.500113.3
446G46.3Very low48.9Very low66 Ų66138.7 Ų138.768%0.6876%0.761SS**G310 helixtrans-93.8-9.918000000116.3S444S444-G446 VanDerWaalsContact C-N 3.3Å
447E44.6Very low47.1Very low185 Ų185141.3 Ų141.386%0.86476%0.758SS**SBendtrans-111.22.9-172.3-83.6-169.3156.600115.6
448E41Very low45.6Very low192 Ų192144.4 Ų144.490%0.89777%0.772SS**SBendtrans-113.925.2179-69.3-161.6163.400115.2
449G40.3Very low44.1Very low73 Ų73141.3 Ų141.375%0.75376%0.764SS**  trans-107.13.8-17500000117.9
450D36.8Very low43.1Very low155 Ų155140 Ų14083%0.82976%0.762SS**  trans-100.879.6-174-125.76.4000110.9
451Q34.3Very low42.4Very low171 Ų171144.8 Ų144.880%0.79978%0.777SS**  trans-178.7125.9153.1-102.5148.587.200112.6
452D39.1Very low41.8Very low141 Ų141144.4 Ų144.475%0.75478%0.775SS**  trans77.4111.2152.5-50.1-28000118.6
453M38.6Very low41.3Very low191 Ų191145.2 Ų145.294%0.94178%0.779SS**  174.285.5128.5-82.2-89.9-158.100110.3
454D40.7Very low40.7Very low162 Ų162142.9 Ų142.987%0.86679%0.785SS**  trans-83.3142.8152.3-88.1-37.9000108.4
455T37.2Very low40.6Very low117 Ų117142.9 Ų142.972%0.71879%0.791SS**  trans152.8110.7148.3-78.30000112.8
456D41.4Very low40.2Very low134 Ų134141.1 Ų141.172%0.71779%0.793SS**  trans57.4145133.9-50.3-5.9000119.9
457D42.5Very low39.8Very low125 Ų125143.5 Ų143.567%0.66880%0.799SS**  cis-175.2156.1-4.1-114.8-30.2000107.3
458E42Very low39.3Very low178 Ų178139.1 Ų139.183%0.83280%0.795SS**  trans63.6142147.5-66.7-169.1178.300120.5
459S41.3Very low39.1Very low92 Ų92139.2 Ų139.264%0.64380%0.797SS**  cis-165176.211.558.10000111.7
460D42.3Very low38.8Very low140 Ų140140.4 Ų140.475%0.74980%0.801SS**  trans93.882.7160.3-52.1-6.3000116.4
461E43.1Very low38.8Very low172 Ų172142 Ų14280%0.80480%0.803SS**  76.1123.983-72.7-162.6166.400116.3
462D43.3Very low38.9Very low130 Ų130139.5 Ų139.570%0.69580%0.804SS**  trans77.991.3145.8-59.3-15.1000121.5
463Q38.3Very low38.7Very low195 Ų195142.3 Ų142.391%0.91181%0.813SS**  177.5109.8101.9-94.9170.759.500111.8
464A35.6Very low38.7Very low104 Ų104137.6 Ų137.686%0.8680%0.804SS**  trans-80.9118.8168.600000110.7
465A38.4Very low38.7Very low93 Ų93139.7 Ų139.777%0.76981%0.806SS**  trans179.987.4148.500000110.5
466T36.4Very low38.8Very low148 Ų148143.6 Ų143.691%0.90881%0.813SS**  trans-175.587.5138.648.30000108.8
467S38.6Very low38.7Very low116 Ų116146.4 Ų146.481%0.81182%0.824SS**  trans-71.2132.1163.7490000110.5
468A34Very low38.4Very low93 Ų93148 Ų14877%0.76983%0.831SS**  trans53.5105.8144.200000118
469M37Very low38.1Very low193 Ų193145.1 Ų145.195%0.95183%0.826SS**  trans-168.7137.7135.3-108.5177.318000112.8
470A35Very low37.9Very low99 Ų99147.2 Ų147.282%0.81884%0.835SS**  trans83.384147.700000119.4
471E35.3Very low37.8Very low188 Ų188148.1 Ų148.188%0.87984%0.839SS**  -54161.2127.7-68.6177.9139.400111.2
472S37.1Very low37.6Very low119 Ų119145.1 Ų145.183%0.83284%0.835SS**  trans80.685.5162.1168.30000117.4
473E35.4Very low37.1Very low200 Ų200144.4 Ų144.494%0.93584%0.84SS**  trans-149.575.3151.1-152.5170.5-169.100112.4
474A37.2Very low37.2Very low92 Ų92139.7 Ų139.776%0.7683%0.834SS**SBendtrans-158.362.6162.400000110.9
475K41.9Very low37.1Very low206 Ų206138.1 Ų138.190%0.89683%0.828SS**SBendtrans-174.8125.9163.1-102.2148.6-171.1176.10111.9
476K38.1Very low37.2Very low199 Ų199139.3 Ų139.387%0.86583%0.831SS**  trans87.294.9159.6-65.6176.1172.7177.20119.8
477M40.3Very low37.5Very low193 Ų193139 Ų13995%0.95182%0.822SS**  -128.4102.9129.1-78.9-171.6162.100105.5
478L35.5Very low37.7Very low157 Ų157139.5 Ų139.582%0.82282%0.822SS**  72.594.571.6-162.675.9000114.4
479V36.3Very low38.1Very low119 Ų119145.1 Ų145.172%0.72182%0.824SS**  trans60.5116.1134.4-179.10000119.5
480T36.6Very low38.3Very low136 Ų136142 Ų14283%0.83482%0.818SS**  -176.1130.5107.7-660000110.9
481L40.7Very low38.7Very low158 Ų158144.9 Ų144.983%0.82782%0.819SS**  trans-72.5-176.7178.4-81.9150.7000113.5
482P38.2Very low39Very low110 Ų110143.4 Ų143.471%0.71482%0.817SS**  cis-136177.6-14.6222.6000114.9
483S33.6Very low39.2Very low115 Ų115144.9 Ų144.980%0.80482%0.821SS**  trans120.5124131.2-156.10000118
484A40.2Very low39.4Very low95 Ų95139.1 Ų139.179%0.78582%0.815SS**  trans71.5102.8148.900000120.5
485G34Very low39.5Very low72 Ų72138.4 Ų138.474%0.74282%0.816SS**  109123.4110.600000118.8
486S39.8Very low39.7Very low117 Ų117136.5 Ų136.582%0.81882%0.815SS**  trans85.287.6151.767.80000120.8
487I43.3Very low40Very low142 Ų142134 Ų13473%0.72882%0.816SS**  6133.8127.1-47167.6000117.3R489I487-R489 HydrophobicContact CG2-CG 4.25Å
488P42.7Very low40.4Very low126 Ų126130.7 Ų130.782%0.81881%0.807SS**  trans-110.9126147.633.6-21.5000111.6
489R42.2Very low40.6Very low211 Ų211129.2 Ų129.280%0.79681%0.807SS**  trans-90.4145161.2-62.1-178.3-160.7-1412.1108.4I487I487-R489 HydrophobicContact CG2-CG 4.25Å
490P40.6Very low40.9Very low129 Ų129128.5 Ų128.584%0.83881%0.814SS**  trans-83.9129.4167.432.4-27.7000109.6
491L44.4Very low41.1Very low158 Ų158126.2 Ų126.283%0.82782%0.817SS**  trans-123.7126.7169.7-77.9176.4000110.3
492D41.2Very low41.3Very low158 Ų158122.4 Ų122.485%0.84582%0.816SS**  trans45.5134.2143.3-96.4-27.8000123.4
493V41.1Very low41.5Very low149 Ų149125.5 Ų125.590%0.90383%0.826SS**  trans-94.5125.8177.2-176.80000108.2
494G39.5Very low42Very low79 Ų79127.8 Ų127.881%0.81483%0.827SS**  trans167.8117.8166.800000115.3
495G40.3Very low42.2Very low77 Ų77129.4 Ų129.479%0.79483%0.827SS**  trans115.590.2169.700000112.1
496L44.6Very low43Very low166 Ų166131.3 Ų131.387%0.86983%0.827SS**  60.677.261.8-153.886.3000114
497V45Very low43.1Very low147 Ų147131.3 Ų131.389%0.89183%0.827SS**  trans-149.6122.7144.3-172.80000110.2
498T47.6Very low43.1Very low124 Ų124128.4 Ų128.476%0.76183%0.832SS**  trans-77.9153.5179.8-46.40000111.5
499P41.7Very low43.1Very low125 Ų125129.4 Ų129.481%0.81284%0.835SS**  trans-96.7160.1-157.437.6-33.1000115
500A41.8Very low43.1Very low105 Ų105125 Ų12587%0.86884%0.837SS**  trans-154.4130.8169.900000113.4
501G41.6Very low43.1Very low88 Ų88123.8 Ų123.891%0.90783%0.831SS**  trans87.3112.6143.500000118.2
502G43.1Very low43Very low78 Ų78122.9 Ų122.980%0.80483%0.832SS**  trans175.162.4169.800000115.3
503L43.1Very low42.9Very low174 Ų174118.6 Ų118.691%0.91183%0.825SS**  trans-75.4111.5179.9-170.790.7000111.3
504I45.2Very low42.9Very low163 Ų163117 Ų11784%0.83683%0.827SS**  trans-151.6102.7163.1-32.9164.7000111.5
505T44.1Very low43Very low129 Ų129116.4 Ų116.479%0.79182%0.821SS**  trans-129.2167.315054.40000104.9
506P50.3Low43.2Very low112 Ų112120.7 Ų120.773%0.72783%0.826SS**  cis-149.8-168.723.137.3-12.9000115.3
507S40.8Very low43.5Very low118 Ų118121.2 Ų121.283%0.82582%0.824SS**  trans122.8111.2144.6-50.80000115
508G45.3Very low43.6Very low80 Ų80120.4 Ų120.483%0.82582%0.819SS**  trans-16692.9169.200000109.2
509V41.7Very low43.6Very low148 Ų148120.1 Ų120.190%0.89782%0.819SS**  trans-74.7142-175.1-70.50000112.3
510S42.2Very low43.5Very low119 Ų119123.3 Ų123.383%0.83282%0.823SS**  trans-159.8121.7142.2-155.30000111.3
511S41Very low43.3Very low102 Ų102123.6 Ų123.671%0.71382%0.819SS**  trans-60.6153.7172.851.20000112.4
512V42.1Very low43.2Very low139 Ų139127.5 Ų127.584%0.84282%0.816SS**  -171.9123.983.2163.70000107.6
513G39.3Very low43.4Very low69 Ų69131.1 Ų131.171%0.71182%0.815SS**  99.893108.400000112.7
514A40.7Very low43.6Very low114 Ų114130.4 Ų130.494%0.94281%0.807SS**  77.1115.683.500000115.1
515G41.8Very low43.8Very low67 Ų67130.3 Ų130.369%0.69181%0.807SS**  trans153.5109.2156.200000118.1
516L45.2Very low44.1Very low168 Ų168133.1 Ų133.188%0.8880%0.803SS**  trans72.6111.8155.7-74.193.6000118.7
517E51Low44.4Very low177 Ų177135.2 Ų135.283%0.82780%0.801SS**  47.7124.663.4-70-172.7159.100112.7
518T46.3Very low45.2Very low129 Ų129138.1 Ų138.179%0.79180%0.799SS**  cis-166.9153.516.1170000106.8
519P46.7Very low45.9Very low118 Ų118139 Ų13977%0.76679%0.788SS**  trans-96.6140.6175.835.2-27.9000111.7
520Q40.3Very low46.8Very low193 Ų193136.6 Ų136.690%0.90277%0.769SS**  trans177.6151.4149.3-102.1167.920.100111.6
521S38.6Very low47.6Very low111 Ų111136.2 Ų136.278%0.77675%0.754SS**  trans88.3107166.579.20000119
522M38.4Very low48.6Very low170 Ų170138.1 Ų138.184%0.83775%0.752SS**  6884.5126.4-159.4157.7-166.900119.2
523I47.2Very low49.4Very low154 Ų154134.6 Ų134.679%0.7974%0.738SS**  trans-139.391138.2-6594.8000108.7
524E47.6Very low50.3Low158 Ų158137.5 Ų137.574%0.73873%0.734SS**  trans-84.4151.9156.6-72.4179.7147.200109.1
525L49.3Very low51.2Low162 Ų162139 Ų13985%0.84872%0.722SS**SBendtrans68.959.5157.5-59.3156.5000118.8
526R50.8Low51.8Low188 Ų188143 Ų14371%0.70973%0.727SS**  trans-139.3-1.9153.3-70.3-166.9-163.2134.96.9116.5
527K55.3Low52.2Low155 Ų155139.4 Ų139.467%0.67472%0.716SS**Hα-helixtrans-77.4-26.4-172.7-160.7175.1176.4-166.60114.8I530 E531K527-I530 PolarHBondContact O-N 3.11Å; K527-E531 PolarHBondContact O-N 3.16Å
528K58.1Low52Low180 Ų180135.7 Ų135.778%0.78371%0.706SS**Hα-helixtrans-69.3-33.2176.9-79.5-172.6171.5-173.50113.3I530 E532K528-I530 VanDerWaalsContact C-N 3.29Å; K528-I530 PolarHBondContact O-N 3.44Å; K528-E532 PolarHBondContact O-N 3.34Å
529T60Low51.7Low98 Ų98133.5 Ų133.560%0.60171%0.709SS**Hα-helixtrans-77.4-17.1179.8-21.50000112.8A533T529-A533 VanDerWaalsContact O-CB 3.31Å; T529-A533 WeakPolarHBondContact O-CB 3.14Å; T529-A533 PolarHBondContact O-N 3.01Å
530I60.1Low51.3Low98 Ų98135.3 Ų135.350%0.50371%0.712SS.*Hα-helixtrans-88.2-31175.8-63.9166.5000111.1K527 K528 M534K527-I530 PolarHBondContact O-N 3.11Å; K528-I530 VanDerWaalsContact C-N 3.29Å; K528-I530 PolarHBondContact O-N 3.44Å; I530-M534 HydrophobicContact CG2-SD 4.36Å; I530-M534 WeakPolarHBondContact O-CB 3.12Å; I530-M534 WeakPolarHBondContact O-CG 3.37Å; I530-M534 PolarHBondContact O-N 2.82Å
531E60.3Low51.2Low111 Ų111131.9 Ų131.952%0.51970%0.704SS.*Hα-helixtrans-68.3-39.9171.6-79.7170.6-177.500111K527 A533 M534 E535K527-E531 PolarHBondContact O-N 3.16Å; E531-A533 PolarHBondContact O-N 3.04Å; E531-M534 PolarHBondContact O-N 3.18Å; E531-E535 PolarHBondContact O-N 3.37Å
532E61.8Low51.2Low141 Ų141132.4 Ų132.466%0.65970%0.702SS**Hα-helixtrans-69.5-32.2175.7-146.1166.8-158.900112.4K528K528-E532 PolarHBondContact O-N 3.34Å
533A59Low51.4Low66 Ų66129.1 Ų129.155%0.54569%0.693SS.*Hα-helixtrans-81.9-15.4175.900000114.4T529 E531T529-A533 VanDerWaalsContact O-CB 3.31Å; T529-A533 WeakPolarHBondContact O-CB 3.14Å; T529-A533 PolarHBondContact O-N 3.01Å; E531-A533 PolarHBondContact O-N 3.04Å
534M57.8Low51.3Low130 Ų130127 Ų12764%0.6469%0.693SS**Hα-helixtrans-85.8-25.6174.3-85.2-178.663.400112.7I530 E531 S537I530-M534 HydrophobicContact CG2-SD 4.36Å; I530-M534 WeakPolarHBondContact O-CB 3.12Å; I530-M534 WeakPolarHBondContact O-CG 3.37Å; I530-M534 PolarHBondContact O-N 2.82Å; E531-M534 PolarHBondContact O-N 3.18Å; M534-S537 PolarHBondContact O-OG 2.95Å
535E59.7Low51.3Low145 Ų145124.9 Ų124.968%0.67869%0.691SS**Hα-helixtrans-71.2-26.3178.1-74.7-179.6171.200113.4E531E531-E535 PolarHBondContact O-N 3.37Å
536D54.1Low51.7Low151 Ų151125.8 Ų125.881%0.80769%0.69SS**THydrogen-bonded Turntrans-83.4-9-179.7-79.4-16.8000114.7
537S53.8Low52.4Low92 Ų92124.7 Ų124.764%0.64370%0.698SS**THydrogen-bonded Turntrans-97.7-8.3-172.266.20000115.1M534M534-S537 PolarHBondContact O-OG 2.95Å
538T46.5Very low53.5Low99 Ų99126.1 Ų126.161%0.60770%0.7SS**SBendtrans-108.889.6176.456.10000109.8L540T538-L540 PolarHBondContact O-N 2.95Å
539G40.2Very low54.5Low84 Ų84127.3 Ų127.387%0.86670%0.7SS**  trans-67.747.1-174.800000116.6
540L39.3Very low55.4Low156 Ų156129.4 Ų129.482%0.81771%0.706SS**  trans-133.368.8168.4-162.866.2000109.7T538 T542T538-L540 PolarHBondContact O-N 2.95Å; L540-T542 PolarHBondContact O-N 3.29Å
541V38.1Very low56.4Low121 Ų121127.5 Ų127.573%0.73370%0.696SS**  trans-84.498.8170.6179.10000107.9
542T37.8Very low57.4Low121 Ų121126.1 Ų126.174%0.74270%0.697SS**  trans-81.3120.5152.6330000107.3L540 S544L540-T542 PolarHBondContact O-N 3.29Å; T542-S544 PolarHBondContact O-N 2.95Å; T542-S544 VanDerWaalsContact O-N 3.15Å
543P42.9Very low58.3Low101 Ų101123.9 Ų123.966%0.65669%0.687SS**  trans-64.1122.9179.726.2-32.1000108T545P543-T545 VanDerWaalsContact C-N 3.29Å; P543-T545 PolarHBondContact O-N 2.97Å
544S45.2Very low59.2Low111 Ų111124.8 Ų124.878%0.77669%0.685SS**  trans-57.296.8168.258.50000108.4T542 Q546T542-S544 PolarHBondContact O-N 2.95Å; T542-S544 VanDerWaalsContact O-N 3.15Å; S544-Q546 PolarHBondContact O-N 3.47Å; S544-Q546 VanDerWaalsContact O-N 3.07Å
545T47.4Very low60.1Low113 Ų113126.3 Ų126.369%0.69369%0.691SS**  trans-64.2108.5169.745.80000106.9P543 L547P543-T545 VanDerWaalsContact C-N 3.29Å; P543-T545 PolarHBondContact O-N 2.97Å; T545-L547 PolarHBondContact O-N 3.29Å
546Q57Low60.5Low181 Ų181122.5 Ų122.585%0.84668%0.678SS**  trans-59.1104.5173.1-63.9179.1-0.900107.9S544 Y548S544-Q546 PolarHBondContact O-N 3.47Å; S544-Q546 VanDerWaalsContact O-N 3.07Å; Q546-Y548 PolarHBondContact O-N 3.25Å
547L65.7Low61.1Low165 Ų165123.3 Ų123.386%0.86468%0.682SS**  trans-67.7-12.3-174.2-84.9148.3000114T545T545-L547 PolarHBondContact O-N 3.29Å
548Y79.3Confident61.4Low185 Ų185123 Ų12373%0.72567%0.673SS**  trans-147.6145.9-179.363.6-83.9000111.6Q546 I550Q546-Y548 PolarHBondContact O-N 3.25Å; Y548-I550 HydrophobicContact CD2-CG1 4.22Å; Y548-I550 HydrophobicContact CE2-CD1 4.44Å; Y548-I550 HydrophobicContact CE2-CG1 4.24Å
549R78.4Confident62.1Low204 Ų204125.5 Ų125.577%0.7768%0.678SS**  trans-117.7125.8170.4-166.8178.7-149.31607.1108.1L551R549-L551 PolarHBondContact O-N 3.36Å
550I79.1Confident63.1Low143 Ų143127.3 Ų127.373%0.73367%0.674SS**PPolyproline II helixtrans-75.4121.1178.8-58.1172.4000108.3Y548Y548-I550 HydrophobicContact CD2-CG1 4.22Å; Y548-I550 HydrophobicContact CE2-CD1 4.44Å; Y548-I550 HydrophobicContact CE2-CG1 4.24Å
551L81.4Confident64.5Low57 Ų57127.5 Ų127.530%0.29868%0.676SS.*PPolyproline II helixtrans-84.9133.7172.9-68173.7000109.8R549 E553 Y570 V572 V575R549-L551 PolarHBondContact O-N 3.36Å; L551-E553 PolarHBondContact O-N 2.87Å; L551-Y570 HydrophobicContact CB-CD1 4.14Å; L551-V572 HydrophobicContact CD1-CG1 3.94Å; L551-V575 HydrophobicContact CD2-CG2 3.61Å
552P81Confident65.8Low82 Ų82124.3 Ų124.353%0.53266%0.662SS.*PPolyproline II helixtrans-65.5133.3175.925.6-30.6000110.8D571P552-D571 HydrophobicContact CG-CB 4.17Å; P552-D571 PolarHBondContact O-N 3.27Å
553E81.7Confident67.1Low95 Ų95127 Ų12744%0.44467%0.671SS.*EExtended strand (participates in β ladder)trans-91.9142176.470.6177.8-157.400111.5L551 K568 L569 Y570L551-E553 PolarHBondContact O-N 2.87Å; E553-K568 VanDerWaalsContact CD-NZ 3.26Å; E553-K568 IonicContact OE1-NZ 2.62Å; E553-K568 PolarHBondContact OE1-NZ 2.86Å; E553-K568 WeakPolarHBondContact OE2-CD 3.4Å; E553-K568 IonicContact OE2-NZ 3.79Å; E553-K568 PolarHBondContact OE2-NZ 2.8Å; E553-L569 CarbonylContact C-O 3.57Å; E553-L569 WeakPolarHBondContact CA-O 3.11Å; E553-Y570 HydrophobicContact CB-CD1 4.17Å; E553-Y570 HydrophobicContact CB-CE1 4.02Å
554T76.6Confident68.4Low85 Ų85131.1 Ų131.152%0.52168%0.684SS.*EExtended strand (participates in β ladder)trans-125.9127.1171.470000108.7L569T554-L569 PolarHBondContact N-O 3.36Å; T554-L569 PolarHBondContact O-N 3.09Å; T554-L569 PolarHBondContact OG1-O 3Å
555E76.3Confident69.5Low161 Ų161127.6 Ų127.675%0.75267%0.665SS**EExtended strand (participates in β ladder)trans-79.1136.3176.9-66.3-172157.500110.8
556T68.9Low70.6Confident66 Ų66126.4 Ų126.441%0.40566%0.661SS.*  trans-123.6132.6171.255.90000111.2L558 T567 L569T556-L558 PolarHBondContact O-N 3.05Å; T556-T567 PolarHBondContact N-O 2.96Å; T556-L569 HydrophobicContact CG2-CD1 3.38Å
557N66.9Low71.5Confident168 Ų168121.6 Ų121.690%0.89864%0.644SS**PPolyproline II helixtrans-64.9121.1173.2-98.8-60.2000110.3Q559N557-Q559 PolarHBondContact O-N 3.49Å
558L59.7Low72.1Confident86 Ų86117.4 Ų117.445%0.4562%0.619SS.*PPolyproline II helixtrans-53.8122.6174-85.3148.2000110.7T556 G565 T567T556-L558 PolarHBondContact O-N 3.05Å; L558-G565 WeakPolarHBondContact CD2-O 3.35Å; L558-T567 HydrophobicContact CD1-CG2 3.65Å; L558-T567 HydrophobicContact CG-CG2 4.49Å
559Q62.5Low71.9Confident151 Ų151113.1 Ų113.171%0.70661%0.608SS**PPolyproline II helixtrans-60.4131.6163.5-76.4-79.5-18.200108.5N557 N561 A562N557-Q559 PolarHBondContact O-N 3.49Å; Q559-N561 PolarHBondContact O-N 3.12Å; Q559-A562 PolarHBondContact O-N 3.17Å; Q559-A562 VanDerWaalsContact O-N 3.15Å
560P60.2Low71.9Confident122 Ų122109.5 Ų109.579%0.79260%0.596SS**THydrogen-bonded Turntrans-62.2-9.7-171.521.7-32.3000115.2
561N68.8Low71.8Confident160 Ų160106.2 Ų106.286%0.85658%0.579SS**THydrogen-bonded Turntrans-104.2-0.4-178.8-74.76.8000114.8Q559Q559-N561 PolarHBondContact O-N 3.12Å
562A65.8Low71.6Confident54 Ų54107 Ų10745%0.44659%0.587SS.*  trans-93108.3179.100000110.7Q559 M564Q559-A562 PolarHBondContact O-N 3.17Å; Q559-A562 VanDerWaalsContact O-N 3.15Å; A562-M564 PolarHBondContact O-N 2.97Å
563L64.6Low71.2Confident177 Ų177105 Ų10593%0.92758%0.577SS**THydrogen-bonded Turntrans-64.3-18.9-175.1-15680.9000113.9
564M69.7Low70.6Confident188 Ų188103.8 Ų103.893%0.92659%0.589SS**THydrogen-bonded Turntrans-150.645.8-174.3-81.3177.985.500113.7A562A562-M564 PolarHBondContact O-N 2.97Å
565G68.4Low70Confident37 Ų37104 Ų10438%0.38159%0.591SS.*  trans-76133.617200000112.5L558L558-G565 WeakPolarHBondContact CD2-O 3.35Å
566S70.9Confident69.5Low87 Ų87100.8 Ų100.861%0.60858%0.582SS**  trans-65.3136.8164.61720000109.4K568S566-K568 PolarHBondContact O-N 3.33Å; S566-K568 PolarHBondContact OG-N 2.83Å; S566-K568 PolarHBondContact OG-O 3.47Å
567T75.7Confident69Low81 Ų81101 Ų10150%0.49760%0.597SS.*SBendtrans-72.6-14.4174.143.70000113.3T556 L558T556-T567 PolarHBondContact N-O 2.96Å; L558-T567 HydrophobicContact CD1-CG2 3.65Å; L558-T567 HydrophobicContact CG-CG2 4.49Å
568K78Confident68.2Low77 Ų7796.2 Ų96.234%0.33558%0.581SS.*EExtended strand (participates in β ladder)trans-120.3130.8-174.2-60.4-171168-150.40111.7E553 S566E553-K568 VanDerWaalsContact CD-NZ 3.26Å; E553-K568 IonicContact OE1-NZ 2.62Å; E553-K568 PolarHBondContact OE1-NZ 2.86Å; E553-K568 WeakPolarHBondContact OE2-CD 3.4Å; E553-K568 IonicContact OE2-NZ 3.79Å; E553-K568 PolarHBondContact OE2-NZ 2.8Å; S566-K568 PolarHBondContact O-N 3.33Å; S566-K568 PolarHBondContact OG-N 2.83Å; S566-K568 PolarHBondContact OG-O 3.47Å
569L76.6Confident67.5Low95 Ų95101.2 Ų101.250%0.49760%0.602SS.*EExtended strand (participates in β ladder)trans-111.4137.9169.7-94.9146000109.4E553 T554 T556E553-L569 CarbonylContact C-O 3.57Å; E553-L569 WeakPolarHBondContact CA-O 3.11Å; T554-L569 PolarHBondContact N-O 3.36Å; T554-L569 PolarHBondContact O-N 3.09Å; T554-L569 PolarHBondContact OG1-O 3Å; T556-L569 HydrophobicContact CG2-CD1 3.38Å
570Y76.4Confident66.5Low128 Ų128104.1 Ų104.150%0.50261%0.607SS.*EExtended strand (participates in β ladder)trans-107133.3176.4-62.9-81.3000110.1L551 E553 V572L551-Y570 HydrophobicContact CB-CD1 4.14Å; E553-Y570 HydrophobicContact CB-CD1 4.17Å; E553-Y570 HydrophobicContact CB-CE1 4.02Å; Y570-V572 PolarHBondContact O-N 2.78Å
571D77.7Confident65.5Low73 Ų73106.3 Ų106.339%0.3961%0.606SS.*  trans-80104.2176.1-170.64.6000110.7P552 A573P552-D571 HydrophobicContact CG-CB 4.17Å; P552-D571 PolarHBondContact O-N 3.27Å; D571-A573 VanDerWaalsContact OD1-CB 3.31Å; D571-A573 WeakPolarHBondContact OD1-CB 3.41Å; D571-A573 PolarHBondContact OD1-N 3.25Å; D571-A573 VanDerWaalsContact OD1-N 3.15Å
572V77.4Confident64Low75 Ų75106.9 Ų106.946%0.45561%0.608SS.*  trans-90.90.8179.2-74.50000113.9L551 Y570 G574 V575 T576L551-V572 HydrophobicContact CD1-CG1 3.94Å; Y570-V572 PolarHBondContact O-N 2.78Å; V572-G574 PolarHBondContact O-N 3.17Å; V572-G574 VanDerWaalsContact O-N 3.16Å; V572-V575 PolarHBondContact O-N 3.24Å; V572-T576 PolarHBondContact O-N 3Å; V572-T576 PolarHBondContact O-OG1 3.18Å
573A72Confident62.5Low40 Ų40111.1 Ų111.133%0.33162%0.624SS.*Hα-helixtrans-59.9-31.3-174.300000113.4D571 V575D571-A573 VanDerWaalsContact OD1-CB 3.31Å; D571-A573 WeakPolarHBondContact OD1-CB 3.41Å; D571-A573 PolarHBondContact OD1-N 3.25Å; D571-A573 VanDerWaalsContact OD1-N 3.15Å; A573-V575 VanDerWaalsContact C-N 3.33Å; A573-V575 PolarHBondContact O-N 2.8Å
574G68.8Low61.2Low68 Ų68112.7 Ų112.770%0.70162%0.623SS**Hα-helixtrans-76-14.4175.700000115.1V572V572-G574 PolarHBondContact O-N 3.17Å; V572-G574 VanDerWaalsContact O-N 3.16Å
575V65.5Low59.4Low91 Ų91106.9 Ų106.955%0.55261%0.611SS**Hα-helixtrans-96.8-28.1-179.4177.20000111.9L551 V572 A573L551-V575 HydrophobicContact CD2-CG2 3.61Å; V572-V575 PolarHBondContact O-N 3.24Å; A573-V575 VanDerWaalsContact C-N 3.33Å; A573-V575 PolarHBondContact O-N 2.8Å
576T65.1Low57.7Low92 Ų92115.1 Ų115.156%0.56464%0.636SS**Hα-helixtrans-96.8-6.7-174.457.10000114.9V572 A578V572-T576 PolarHBondContact O-N 3Å; V572-T576 PolarHBondContact O-OG1 3.18Å; T576-A578 PolarHBondContact O-N 3.4Å
577G57.7Low55.9Low71 Ų71120.7 Ų120.773%0.73265%0.653SS**  trans65.28.1178.300000115Q579G577-Q579 PolarHBondContact O-N 2.93Å
578A50.6Low54Low67 Ų67122 Ų12255%0.55467%0.665SS**  trans-79.5113.3-176.700000111.1T576 R580T576-A578 PolarHBondContact O-N 3.4Å; A578-R580 PolarHBondContact O-N 3.14Å
579Q45.5Very low51.9Low191 Ų191124 Ų12489%0.89368%0.684SS**  trans-61.6122.1169.8-71.4-170.9-74.500109.9G577 E581G577-Q579 PolarHBondContact O-N 2.93Å; Q579-E581 PolarHBondContact O-N 2.98Å
580R40.2Very low50.1Low213 Ų213125.6 Ų125.680%0.80470%0.7SS**  trans-67.998.4167.2-93179.9165.2148.8-1.7108.7A578 L582A578-R580 PolarHBondContact O-N 3.14Å; R580-L582 PolarHBondContact O-N 3.36Å
581E39.4Very low47.9Very low167 Ų167129.6 Ų129.678%0.7872%0.715SS**  trans-71.5119.4158.3-76.6-153.5154.100109.6Q579 N583Q579-E581 PolarHBondContact O-N 2.98Å; E581-N583 PolarHBondContact O-N 3.3Å
582L38.7Very low45.7Very low172 Ų172136.6 Ų136.690%0.90174%0.738SS**  trans-66.990170-84.2140.7000109.5R580R580-L582 PolarHBondContact O-N 3.36Å
583N34.4Very low43.5Very low143 Ų143141.3 Ų141.377%0.76575%0.753SS**  trans-113.2111.5162.1-103.7-39.5000110.6E581 G585E581-N583 PolarHBondContact O-N 3.3Å; N583-G585 PolarHBondContact O-N 3.09Å
584K37.2Very low41.6Very low211 Ų211148 Ų14892%0.91778%0.777SS**  trans-65.3121.3172.5-75.7172.8174.2171.40109
585G31.3Very low40.2Very low66 Ų66150.8 Ų150.868%0.6877%0.772SS**SBendtrans105.9130.8160.200000114.4N583N583-G585 PolarHBondContact O-N 3.09Å
586K32.4Very low39Very low209 Ų209152.4 Ų152.491%0.90978%0.777SS**  trans8388.3174.6-52.9177.1-177.7175.60114.1S588K586-S588 PolarHBondContact O-N 2.94Å; K586-S588 VanDerWaalsContact O-N 3.11Å
587H34.1Very low37.9Very low205 Ų205156.2 Ų156.295%0.94978%0.783SS**  trans-67.4104.5158.8-79-49.2000109.2
588S35.7Very low37.3Very low109 Ų109156.8 Ų156.876%0.76278%0.775SS**PPolyproline II helixtrans-73127.1160.951.80000109.4K586K586-S588 PolarHBondContact O-N 2.94Å; K586-S588 VanDerWaalsContact O-N 3.11Å
589T34.1Very low37.2Very low119 Ų119161.4 Ų161.473%0.7378%0.783SS**PPolyproline II helixtrans-61.6136172.746.10000111.7
590P38Very low37.2Very low127 Ų127157.7 Ų157.783%0.82577%0.768SS**PPolyproline II helixtrans-72.1129160.85.89.8000108.7Y592P590-Y592 PolarHBondContact O-N 3.13Å
591Y30.8Very low37.5Very low212 Ų212150.8 Ų150.883%0.83175%0.753SS**PPolyproline II helixtrans-50.9116.8172.6-101.5-111000111.2
592Y31.7Very low37.9Very low221 Ų221152.3 Ų152.387%0.86775%0.752SS**  trans-119.8132.6146.3-114.7-90.5000106.7P590 E594P590-Y592 PolarHBondContact O-N 3.13Å; Y592-E594 VanDerWaalsContact C-N 3.32Å; Y592-E594 PolarHBondContact O-N 3.05Å
593F29.9Very low38.6Very low173 Ų173151.8 Ų151.876%0.75974%0.742SS**  trans-63.492.2175.8-126.7-96.5000108.2E595F593-E595 HydrophobicContact CD1-CG 4.1Å; F593-E595 HydrophobicContact CE1-CG 4.19Å
594E33.4Very low39.2Very low181 Ų181147.9 Ų147.985%0.84673%0.725SS**  trans-105.284170.7-156.6162.9-158.400106.7Y592 D596Y592-E594 VanDerWaalsContact C-N 3.32Å; Y592-E594 PolarHBondContact O-N 3.05Å; E594-D596 PolarHBondContact O-N 3.23Å
595E37.7Very low40.1Very low126 Ų126141.7 Ų141.759%0.58971%0.705SS**  trans-67.4126.3169-85.9-176.5163.300109.3F593 Y597F593-E595 HydrophobicContact CD1-CG 4.1Å; F593-E595 HydrophobicContact CE1-CG 4.19Å; E595-Y597 VanDerWaalsContact C-N 3.3Å; E595-Y597 HydrophobicContact CB-CD2 4.44Å; E595-Y597 HydrophobicContact CB-CE2 4.39Å; E595-Y597 WeakPolarHBondContact O-CD2 3.41Å; E595-Y597 PolarHBondContact O-N 2.93Å
596D40.2Very low41.3Very low125 Ų125146.4 Ų146.467%0.66871%0.707SS**  trans-57.974.9-178.6-83.4-43.2000113.9E594 S598E594-D596 PolarHBondContact O-N 3.23Å; D596-S598 PolarHBondContact O-N 2.69Å
597Y43.3Very low42.3Very low173 Ų173142.1 Ų142.168%0.67869%0.693SS**Hα-helixtrans-74-7172-88.5-85.2000113.7E595 S601E595-Y597 VanDerWaalsContact C-N 3.3Å; E595-Y597 HydrophobicContact CB-CD2 4.44Å; E595-Y597 HydrophobicContact CB-CE2 4.39Å; E595-Y597 WeakPolarHBondContact O-CD2 3.41Å; E595-Y597 PolarHBondContact O-N 2.93Å; Y597-S601 WeakPolarHBondContact O-CB 3.44Å; Y597-S601 PolarHBondContact O-N 3.11Å
598S45.1Very low43.2Very low82 Ų82137 Ų13757%0.57367%0.673SS**Hα-helixtrans-83.8-21.1-17475.80000115.1D596D596-S598 PolarHBondContact O-N 2.69Å
599K47.1Very low44.3Very low165 Ų165135 Ų13572%0.71766%0.658SS**Hα-helixtrans-95.6-25.5175.6-75.6176.7-176.1165.40113.5
600L45.7Very low45.4Very low112 Ų112130.9 Ų130.959%0.58664%0.64SS**Hα-helixtrans-75.9-31.9173.3-14173.8000112R602 K603 C604L600-R602 VanDerWaalsContact C-N 3.31Å; L600-R602 PolarHBondContact O-N 3.4Å; L600-K603 PolarHBondContact O-N 3.02Å; L600-C604 WeakPolarHBondContact O-CB 3.46Å; L600-C604 PolarHBondContact O-N 3.33Å
601S46.4Very low46Very low68 Ų68129.7 Ų129.748%0.47663%0.626SS.*Hα-helixtrans-57-36.6176.5170.20000113.7Y597 T605Y597-S601 WeakPolarHBondContact O-CB 3.44Å; Y597-S601 PolarHBondContact O-N 3.11Å; S601-T605 WeakPolarHBondContact O-CB 3.05Å; S601-T605 WeakPolarHBondContact O-CG2 3.06Å; S601-T605 PolarHBondContact O-N 3.34Å; S601-T605 PolarHBondContact O-OG1 3.38Å
602R48.9Very low46.9Very low200 Ų200124.8 Ų124.876%0.75561%0.614SS**Hα-helixtrans-81.9-23.4-179.8-63.4-173.3-166.9-179.54.6114.4L600 T605L600-R602 VanDerWaalsContact C-N 3.31Å; L600-R602 PolarHBondContact O-N 3.4Å; R602-T605 WeakPolarHBondContact CA-OG1 3.47Å; R602-T605 PolarHBondContact O-OG1 3.17Å
603K52.4Low47.9Very low160 Ų160124.8 Ų124.870%0.69661%0.612SS**Hα-helixtrans-86.2-39.2174-100.9176.3176.6177.40111.5L600 K606 L607L600-K603 PolarHBondContact O-N 3.02Å; K603-K606 PolarHBondContact O-N 3.16Å; K603-L607 WeakPolarHBondContact O-CB 3.35Å; K603-L607 PolarHBondContact O-N 3.45Å
604C47.9Very low49Very low61 Ų61124.3 Ų124.341%0.41261%0.61SS.*Hα-helixtrans-65.8-38.8172.4-87.80000112.2L600 K606 L607 L608L600-C604 WeakPolarHBondContact O-CB 3.46Å; L600-C604 PolarHBondContact O-N 3.33Å; C604-K606 PolarHBondContact O-N 3.41Å; C604-L607 PolarHBondContact O-N 3.18Å; C604-L608 HydrophobicContact CB-CD1 4.31Å; C604-L608 WeakPolarHBondContact O-CB 3.14Å; C604-L608 WeakPolarHBondContact O-CD1 3.44Å; C604-L608 WeakPolarHBondContact O-CG 3.5Å; C604-L608 PolarHBondContact O-N 2.97Å
605T56.8Low49.7Very low82 Ų82118.9 Ų118.950%0.50359%0.586SS.*Hα-helixtrans-67.3-32.6176.745.90000113.2S601 R602 S609S601-T605 WeakPolarHBondContact O-CB 3.05Å; S601-T605 WeakPolarHBondContact O-CG2 3.06Å; S601-T605 PolarHBondContact O-N 3.34Å; S601-T605 PolarHBondContact O-OG1 3.38Å; R602-T605 WeakPolarHBondContact CA-OG1 3.47Å; R602-T605 PolarHBondContact O-OG1 3.17Å; T605-S609 WeakPolarHBondContact O-CB 3.44Å; T605-S609 PolarHBondContact O-N 2.87Å; T605-S609 PolarHBondContact O-OG 3.41Å; T605-S609 VanDerWaalsContact O-OG 3.12Å
606K54.8Low50.1Low164 Ų164117 Ų11771%0.71359%0.586SS**Hα-helixtrans-74-40.3173.1-82.6-177177.6-1800112.7K603 C604 S609 G610K603-K606 PolarHBondContact O-N 3.16Å; C604-K606 PolarHBondContact O-N 3.41Å; K606-S609 PolarHBondContact O-OG 2.82Å; K606-G610 PolarHBondContact O-N 3.43Å; K606-G610 VanDerWaalsContact O-N 3.08Å
607L54.4Low50.4Low119 Ų119115.3 Ų115.362%0.62358%0.584SS**Hα-helixtrans-72.1-38.4177-74.5168.3000112.6K603 C604 G610 L611K603-L607 WeakPolarHBondContact O-CB 3.35Å; K603-L607 PolarHBondContact O-N 3.45Å; C604-L607 PolarHBondContact O-N 3.18Å; L607-G610 PolarHBondContact O-N 3.39Å; L607-L611 WeakPolarHBondContact O-CD1 3.46Å; L607-L611 PolarHBondContact O-N 3.42Å
608L53.7Low50.4Low99 Ų99112.6 Ų112.652%0.51858%0.581SS.*Hα-helixtrans-68-38172.1-80.5154000111.5C604 G610 L611 L612C604-L608 HydrophobicContact CB-CD1 4.31Å; C604-L608 WeakPolarHBondContact O-CB 3.14Å; C604-L608 WeakPolarHBondContact O-CD1 3.44Å; C604-L608 WeakPolarHBondContact O-CG 3.5Å; C604-L608 PolarHBondContact O-N 2.97Å; L608-G610 PolarHBondContact O-N 3.49Å; L608-L611 PolarHBondContact O-N 2.86Å; L608-L612 HydrophobicContact CB-CD1 4.19Å; L608-L612 HydrophobicContact CD2-CD1 3.92Å; L608-L612 VanDerWaalsContact O-CB 3.31Å; L608-L612 WeakPolarHBondContact O-CB 3.45Å; L608-L612 WeakPolarHBondContact O-CD1 3.35Å; L608-L612 PolarHBondContact O-N 3.42Å
609S58.6Low50.6Low66 Ų66112.7 Ų112.746%0.46257%0.574SS.*Hα-helixtrans-67.2-23.8173.373.70000113.5T605 K606T605-S609 WeakPolarHBondContact O-CB 3.44Å; T605-S609 PolarHBondContact O-N 2.87Å; T605-S609 PolarHBondContact O-OG 3.41Å; T605-S609 VanDerWaalsContact O-OG 3.12Å; K606-S609 PolarHBondContact O-OG 2.82Å
610G55.9Low50.3Low33 Ų33112 Ų11234%0.3457%0.573SS.*Hα-helixtrans-84.4-36.3175.800000113.8K606 L607 L608K606-G610 PolarHBondContact O-N 3.43Å; K606-G610 VanDerWaalsContact O-N 3.08Å; L607-G610 PolarHBondContact O-N 3.39Å; L608-G610 PolarHBondContact O-N 3.49Å
611L51.8Low50.3Low102 Ų102112.8 Ų112.853%0.53458%0.578SS.*Hα-helixtrans-76.3-41174.1-98.380.9000112L607 L608 R613 K614 D615L607-L611 WeakPolarHBondContact O-CD1 3.46Å; L607-L611 PolarHBondContact O-N 3.42Å; L608-L611 PolarHBondContact O-N 2.86Å; L611-R613 PolarHBondContact O-N 3.25Å; L611-R613 VanDerWaalsContact O-N 3.14Å; L611-K614 PolarHBondContact O-N 3.42Å; L611-D615 PolarHBondContact O-N 2.89Å
612L49.7Very low50.4Low109 Ų109114.3 Ų114.357%0.57158%0.584SS**Hα-helixtrans-64.5-19.2175.5-88.393.5000113.4L608 C616L608-L612 HydrophobicContact CB-CD1 4.19Å; L608-L612 HydrophobicContact CD2-CD1 3.92Å; L608-L612 VanDerWaalsContact O-CB 3.31Å; L608-L612 WeakPolarHBondContact O-CB 3.45Å; L608-L612 WeakPolarHBondContact O-CD1 3.35Å; L608-L612 PolarHBondContact O-N 3.42Å; L612-C616 PolarHBondContact O-SG 3.22Å
613R53.1Low50.1Low221 Ų221114.2 Ų114.283%0.83459%0.585SS**Hα-helixtrans-84.4-19172.1-83.4-174.6-162.8-146.70.8114.3L611L611-R613 PolarHBondContact O-N 3.25Å; L611-R613 VanDerWaalsContact O-N 3.14Å
614K51.3Low49.7Very low163 Ų163113.1 Ų113.171%0.70959%0.587SS**Hα-helixtrans-102.3-23-179.6-71.4-176.7177.1-177.60112.8L611 S617L611-K614 PolarHBondContact O-N 3.42Å; K614-S617 PolarHBondContact O-OG 2.81Å
615D49.2Very low49.5Very low67 Ų67114.1 Ų114.136%0.35860%0.599SS.*Hα-helixtrans-92.6-15.5178.9-62.3-26.7000113.4L611 S617 L618 I619L611-D615 PolarHBondContact O-N 2.89Å; D615-S617 PolarHBondContact O-N 3.47Å; D615-L618 PolarHBondContact O-N 3.42Å; D615-I619 HydrophobicContact CB-CD1 3.95Å; D615-I619 WeakPolarHBondContact O-CB 3.27Å; D615-I619 WeakPolarHBondContact O-CD1 3.35Å; D615-I619 WeakPolarHBondContact O-CG1 3.43Å; D615-I619 PolarHBondContact O-N 2.98Å
616C45.4Very low49.1Very low86 Ų86115.9 Ų115.958%0.58160%0.602SS**Hα-helixtrans-64.8-20.4173.8-87.20000114.2L612L612-C616 PolarHBondContact O-SG 3.22Å
617S46.2Very low49.3Very low89 Ų89113.4 Ų113.462%0.62260%0.597SS**Hα-helixtrans-85.7-15.217254.20000113.7K614 D615K614-S617 PolarHBondContact O-OG 2.81Å; D615-S617 PolarHBondContact O-N 3.47Å
618L45.2Very low49.5Very low116 Ų116112.3 Ų112.361%0.60760%0.596SS**Hα-helixtrans-100.3-29.9178.8-139.274000111.9D615 H620 N621D615-L618 PolarHBondContact O-N 3.42Å; L618-H620 VanDerWaalsContact C-N 3.31Å; L618-H620 PolarHBondContact O-N 2.97Å; L618-N621 PolarHBondContact O-N 3.07Å
619I48.3Very low49.7Very low85 Ų85117.2 Ų117.244%0.43661%0.608SS.*Hα-helixtrans-70.2-26.2178.2-70168.4000111.8D615 N621 V622 Y623D615-I619 HydrophobicContact CB-CD1 3.95Å; D615-I619 WeakPolarHBondContact O-CB 3.27Å; D615-I619 WeakPolarHBondContact O-CD1 3.35Å; D615-I619 WeakPolarHBondContact O-CG1 3.43Å; D615-I619 PolarHBondContact O-N 2.98Å; I619-N621 PolarHBondContact O-N 3.45Å; I619-V622 PolarHBondContact O-N 3.43Å; I619-Y623 HydrophobicContact CG2-CD2 3.59Å; I619-Y623 HydrophobicContact CG2-CE2 3.59Å; I619-Y623 WeakPolarHBondContact O-CD2 3.4Å; I619-Y623 PolarHBondContact O-N 2.93Å
620H41.2Very low49.9Very low149 Ų149119.3 Ų119.369%0.6961%0.61SS**Hα-helixtrans-72.9-13.9175.8-143.4-84.2000114L618L618-H620 VanDerWaalsContact C-N 3.31Å; L618-H620 PolarHBondContact O-N 2.97Å
621N45.7Very low50Low130 Ų130124.8 Ų124.870%0.69562%0.621SS**Hα-helixtrans-102.5-10.6177.5-74.6-16.8000113.5L618 I619L618-N621 PolarHBondContact O-N 3.07Å; I619-N621 PolarHBondContact O-N 3.45Å
622V48.1Very low50.2Low100 Ų100125.1 Ų125.161%0.60662%0.621SS**Hα-helixtrans-99.1-21.7179.9178.40000112.2I619 N624 A625I619-V622 PolarHBondContact O-N 3.43Å; V622-N624 VanDerWaalsContact C-N 3.31Å; V622-N624 PolarHBondContact O-N 2.81Å; V622-A625 PolarHBondContact O-N 3.28Å
623Y42.1Very low50.7Low197 Ų197125 Ų12577%0.77362%0.621SS**THydrogen-bonded Turntrans-83.75.6-179.5-88.8-91.5000115.7I619I619-Y623 HydrophobicContact CG2-CD2 3.59Å; I619-Y623 HydrophobicContact CG2-CE2 3.59Å; I619-Y623 WeakPolarHBondContact O-CD2 3.4Å; I619-Y623 PolarHBondContact O-N 2.93Å
624N44.7Very low51Low137 Ų137122.3 Ų122.373%0.73361%0.61SS**THydrogen-bonded Turntrans-106.714.2170-76.5-40.1000112.9V622 E626V622-N624 VanDerWaalsContact C-N 3.31Å; V622-N624 PolarHBondContact O-N 2.81Å; N624-E626 PolarHBondContact O-N 2.95Å
625A43.5Very low51.4Low82 Ų82121.3 Ų121.368%0.67861%0.606SS**  trans-80.997.3172.600000109.4V622V622-A625 PolarHBondContact O-N 3.28Å
626E47.6Very low51.6Low120 Ų120126.7 Ų126.756%0.56162%0.621SS**  trans-48.4138.6167.1-69.4178.4149.600111.1N624N624-E626 PolarHBondContact O-N 2.95Å
627D59.4Low52.1Low112 Ų112128.2 Ų128.260%0.59962%0.622SS**  trans-55125.9176.2-133-18.2000109.5R629 E630 R631D627-R629 PolarHBondContact O-N 2.87Å; D627-E630 HydrophobicContact CB-CB 4.48Å; D627-E630 HydrophobicContact CB-CG 4.45Å; D627-E630 PolarHBondContact O-N 2.69Å; D627-R631 PolarHBondContact O-N 3.25Å
628P59.8Low52.2Low95 Ų95127.9 Ų127.962%0.61762%0.62SS**Hα-helixtrans-56-23.6-175.4-2632.6000114.1M632P628-M632 PolarHBondContact O-N 3.35Å
629R56.6Low52.3Low202 Ų202125.1 Ų125.176%0.76262%0.62SS**Hα-helixtrans-75.2-40.6175.2-74.7-172.2175.5-162.4-0.3113D627 M632 L633D627-R629 PolarHBondContact O-N 2.87Å; R629-M632 PolarHBondContact O-N 3.29Å; R629-L633 PolarHBondContact O-N 3.19Å; R629-L633 VanDerWaalsContact O-N 3.17Å
630E62.6Low52.2Low110 Ų110126.8 Ų126.851%0.51463%0.634SS.*Hα-helixtrans-69.3-35.1177.3-76.5-161.5150.900112D627 M632 L633 R634D627-E630 HydrophobicContact CB-CB 4.48Å; D627-E630 HydrophobicContact CB-CG 4.45Å; D627-E630 PolarHBondContact O-N 2.69Å; E630-M632 VanDerWaalsContact C-N 3.33Å; E630-M632 PolarHBondContact O-N 2.92Å; E630-L633 PolarHBondContact O-N 3.35Å; E630-R634 WeakPolarHBondContact O-CG 3.47Å; E630-R634 PolarHBondContact O-N 3.02Å
631R59.5Low52.1Low148 Ų148127.9 Ų127.956%0.55864%0.64SS**Hα-helixtrans-65.2-34.7175.2-166176.5-177.8-167.71.7112.8D627 K635D627-R631 PolarHBondContact O-N 3.25Å; R631-K635 WeakPolarHBondContact O-CB 3.48Å; R631-K635 PolarHBondContact O-N 3.05Å; R631-K635 VanDerWaalsContact O-N 3.17Å
632M55.4Low51.8Low110 Ų110126.6 Ų126.654%0.54264%0.641SS.*Hα-helixtrans-72.1-36.4174.1-89.2-162.5-69.500112.8P628 R629 E630 R636P628-M632 PolarHBondContact O-N 3.35Å; R629-M632 PolarHBondContact O-N 3.29Å; E630-M632 VanDerWaalsContact C-N 3.33Å; E630-M632 PolarHBondContact O-N 2.92Å; M632-R636 WeakPolarHBondContact O-CB 3.47Å; M632-R636 PolarHBondContact O-N 2.91Å
633L58.9Low51.4Low107 Ų107131 Ų13156%0.5666%0.655SS**Hα-helixtrans-69.4-42.5176-87.9145.6000111.7R629 E630 R636 I637R629-L633 PolarHBondContact O-N 3.19Å; R629-L633 VanDerWaalsContact O-N 3.17Å; E630-L633 PolarHBondContact O-N 3.35Å; L633-R636 PolarHBondContact O-N 3.18Å; L633-I637 WeakPolarHBondContact O-CD1 3.25Å; L633-I637 VanDerWaalsContact O-CG1 3.3Å; L633-I637 WeakPolarHBondContact O-CG1 3.35Å; L633-I637 PolarHBondContact O-N 2.85Å; L633-I637 VanDerWaalsContact O-N 3.1Å
634R61.3Low51.2Low163 Ų163130.5 Ų130.562%0.61566%0.659SS**Hα-helixtrans-65.6-39.7176.3-72.3179.9-178-101.51.1113E630 R636 I637 S638E630-R634 WeakPolarHBondContact O-CG 3.47Å; E630-R634 PolarHBondContact O-N 3.02Å; R634-R636 VanDerWaalsContact C-N 3.29Å; R634-R636 PolarHBondContact O-N 2.97Å; R634-I637 PolarHBondContact O-N 3.17Å; R634-S638 WeakPolarHBondContact O-CB 3.42Å; R634-S638 PolarHBondContact O-N 3.09Å; R634-S638 PolarHBondContact O-OG 2.82Å; R634-S638 VanDerWaalsContact O-OG 3.12Å
635K58.8Low50.9Low142 Ų142131.1 Ų131.162%0.61766%0.663SS**Hα-helixtrans-68-24174-89.1-176.4172.6-175.40114R631R631-K635 WeakPolarHBondContact O-CB 3.48Å; R631-K635 PolarHBondContact O-N 3.05Å; R631-K635 VanDerWaalsContact O-N 3.17Å
636R52.5Low50.8Low180 Ų180135.8 Ų135.868%0.67967%0.671SS**Hα-helixtrans-81.3-31.3175.7-126.9-179.6-80.5-176.5-6.9112.2M632 L633 R634M632-R636 WeakPolarHBondContact O-CB 3.47Å; M632-R636 PolarHBondContact O-N 2.91Å; L633-R636 PolarHBondContact O-N 3.18Å; R634-R636 VanDerWaalsContact C-N 3.29Å; R634-R636 PolarHBondContact O-N 2.97Å
637I55.9Low50.5Low118 Ų118137.1 Ų137.161%0.60568%0.68SS**Hα-helixtrans-83.9-29.5179.1-62.4163.9000111.5L633 R634L633-I637 WeakPolarHBondContact O-CD1 3.25Å; L633-I637 VanDerWaalsContact O-CG1 3.3Å; L633-I637 WeakPolarHBondContact O-CG1 3.35Å; L633-I637 PolarHBondContact O-N 2.85Å; L633-I637 VanDerWaalsContact O-N 3.1Å; R634-I637 PolarHBondContact O-N 3.17Å
638S50Low49.6Very low83 Ų83137.3 Ų137.358%0.5869%0.69SS**THydrogen-bonded Turntrans-89.11.3177.374.90000114.6R634R634-S638 WeakPolarHBondContact O-CB 3.42Å; R634-S638 PolarHBondContact O-N 3.09Å; R634-S638 PolarHBondContact O-OG 2.82Å; R634-S638 VanDerWaalsContact O-OG 3.12Å
639G45.3Very low48.5Very low58 Ų58136.4 Ų136.460%0.59870%0.698SS**THydrogen-bonded Turntrans-103.6-1.8-175.200000114.9
640T46.9Very low47.6Very low120 Ų120131.2 Ų131.274%0.73670%0.698SS**SBendtrans-112.813.7-172.846.80000113.8
641E39.6Very low46.6Very low172 Ų172135.2 Ų135.280%0.80471%0.714SS**SBendtrans-133.531.2-168.8-139.9175.4165.400113.1
642S39Very low45.5Very low102 Ų102133.7 Ų133.771%0.71373%0.726SS**  trans-139.922.6-172.3-38.30000115.7
643Q39.4Very low44.7Very low194 Ų194132.3 Ų132.391%0.90774%0.74SS**  trans-132.965.9172.4-72.8-169.52.600111
644Q37.9Very low43.5Very low185 Ų185131.4 Ų131.486%0.86476%0.757SS**  trans-153.2138.1160.6-127.8151.4-5.700107
645D39Very low42.4Very low151 Ų151127.9 Ų127.981%0.80777%0.771SS**  trans83.584.2-174.8-54-25.8000116.4
646Q42.3Very low41.3Very low180 Ų180126.7 Ų126.784%0.84178%0.78SS**  -172.6133.4116.5-103.51758600114.1
647I41.3Very low40.7Very low147 Ų147122.4 Ų122.475%0.75478%0.784SS**  trans100.594.5151.4-56150.1000117.5
648S39.1Very low39.9Very low117 Ų117122.8 Ų122.882%0.81879%0.791SS**  trans-37.7143.7150.552.70000116.3
649G37Very low39.4Very low75 Ų75126.5 Ų126.577%0.77380%0.804SS**  trans163.375.5159.200000117.9
650A38.5Very low39.2Very low94 Ų94128.6 Ų128.678%0.77781%0.809SS**  trans68.4120.8142.400000122.6
651K40.4Very low38.8Very low194 Ų194130.9 Ų130.984%0.84382%0.817SS**  trans87.997.2130.1-80.3-178.5174.81790121.4
652S37.7Very low39Very low115 Ų115127.5 Ų127.580%0.80482%0.818SS**  68.8127.8110.7710000122.2
653G37.9Very low39.1Very low82 Ų82128.9 Ų128.985%0.84583%0.825SS**  trans113.6111158.500000111
654G34.7Very low39.2Very low88 Ų88127.7 Ų127.791%0.90782%0.819SS**  cis111.4107.928.700000108.2
655G37Very low39.5Very low89 Ų89124.8 Ų124.892%0.91882%0.816SS**  trans156.1116.8171.700000114.3
656S36.5Very low39.5Very low116 Ų116123.3 Ų123.381%0.81181%0.813SS**  trans-113.7147.1-170.6-176.30000111.3
657A39.6Very low39.8Very low91 Ų91121.4 Ų121.475%0.75281%0.813SS**  trans175.9105.6152.400000108
658V38Very low39.6Very low125 Ų125120.1 Ų120.176%0.75882%0.815SS**  64.8128.880.9-175.70000114.5
659L41.2Very low39.9Very low162 Ų162120.3 Ų120.385%0.84882%0.816SS**  trans124.9136.3161.9-70.6161.9000111.3
660S41.1Very low40.2Very low101 Ų101121 Ų12171%0.70682%0.815SS**  cis-177.6143.4-17.643.30000107.7
661N36.9Very low40.2Very low169 Ų169122.4 Ų122.490%0.90482%0.819SS**  trans-14.4145.2168.3-63.2-25.7000122.3
662A44.5Very low40.8Very low100 Ų100121.8 Ų121.883%0.82682%0.816SS**  trans-160.2150.8134.800000112.8
663P41.9Very low41Very low131 Ų131126.3 Ų126.385%0.85182%0.821SS**  trans-116.8174.4-162.934.5-15.6000117.1
664E40Very low41.4Very low169 Ų169132.5 Ų132.579%0.7982%0.82SS**  trans-19.2166.2177.9-78.1-172.9159.200123.2
665P44.6Very low42.3Very low124 Ų124137.6 Ų137.681%0.80582%0.817SS**  -140.1153112.737.1-22.6000117.3
666T39.9Very low42.8Very low120 Ų120142.4 Ų142.474%0.73682%0.816SS**  trans-69.5153.3-179.9500000116.4
667V48.3Very low43.1Very low140 Ų140146.2 Ų146.285%0.84882%0.818SS**  trans-129135.7164.9-167.60000109.9
668P37Very low43.5Very low121 Ų121151.1 Ų151.179%0.78682%0.823SS**  trans-96.9146.8-176.436.4-30.4000112.1
669S44.4Very low43.6Very low121 Ų121158.5 Ų158.585%0.84685%0.845SS**  trans-157.4115.6154-165.50000114.2
670A44.3Very low43.7Very low90 Ų90158.3 Ų158.374%0.74485%0.845SS**  trans-6.9125.3162.300000120.6
671S39.1Very low43.9Very low123 Ų123161.3 Ų161.386%0.8685%0.852SS**  trans-84.8120.9159-31.70000110.1
672K51.9Low44.2Very low181 Ų181160.9 Ų160.979%0.78785%0.849SS**  trans-98.9114164-77-178.3178.9178.30109.1
673K42.4Very low44.2Very low210 Ų210164.5 Ų164.591%0.91385%0.851SS**PPolyproline II helixtrans-71.8122.6164.9-78.4176.7174.7176.10108.3
674Y46.8Very low44.4Very low211 Ų211166.6 Ų166.683%0.82785%0.851SS**PPolyproline II helixtrans-97.2133.3159.8-86.6-82.2000109.9
675K53.6Low44.7Very low195 Ų195166.4 Ų166.485%0.84886%0.855SS**PPolyproline II helixtrans-95.8125.2-176.5-161.5175.8-175-178.30106.8F677K675-F677 PolarHBondContact O-N 2.74Å
676E46.7Very low44.7Very low191 Ų191169.4 Ų169.489%0.89386%0.858SS**PPolyproline II helixtrans-54.1122.2177-160.5169-164.800111
677F43.7Very low45Very low196 Ų196173.2 Ų173.286%0.8687%0.868SS**PPolyproline II helixtrans-103.8122.3166.3-110.4-88.1000108.3K675K675-F677 PolarHBondContact O-N 2.74Å
678K47.7Very low44.8Very low194 Ų194176 Ų17684%0.84387%0.869SS**PPolyproline II helixtrans-77.4134.1165.5-92.2178169.3176.50109.2
679F39.8Very low45.5Very low279 Ų279181 Ų181100%1.22488%0.877SS**  trans-118.70144.8-110.1-82.6000108.3

Retrieved 679 of 679 residues in 210.5 ms (Link to these results)